(3R)-6-methoxy-N-[2-(1-methylpiperidin-4-yl)oxy-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-[(1-methylpyrrolidin-2-yl)methoxy]-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-[(1-methylpyrrolidin-3-yl)methoxy]-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-(oxan-4-yloxy)-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-(oxolan-2-ylmethoxy)-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-(oxolan-3-ylmethoxy)-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C153H177N27O21 — CID 158381159

IUPAC(3R)-6-methoxy-N-[2-(1-methylpiperidin-4-yl)oxy-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-[(1-methylpyrrolidin-2-yl)methoxy]-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-[(1-methylpyrrolidin-3-yl)methoxy]-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-(oxan-4-yloxy)-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-(oxolan-2-ylmethoxy)-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-(oxolan-3-ylmethoxy)-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCOc1ccc2c(c1)C[C@H](C(=O)Nc1ccc(-c3cn[nH]c3)cc1OC1CCN(C)CC1)NC2.COc1ccc2c(c1)C[C@H](C(=O)Nc1ccc(-c3cn[nH]c3)cc1OC1CCOCC1)NC2.COc1ccc2c(c1)C[C@H](C(=O)Nc1ccc(-c3cn[nH]c3)cc1OCC1CCCN1C)NC2.COc1ccc2c(c1)C[C@H](C(=O)Nc1ccc(-c3cn[nH]c3)cc1OCC1CCCO1)NC2.COc1ccc2c(c1)C[C@H](C(=O)Nc1ccc(-c3cn[nH]c3)cc1OCC1CCN(C)C1)NC2.COc1ccc2c(c1)C[C@H](C(=O)Nc1ccc(-c3cn[nH]c3)cc1OCC1CCOC1)NC2
InChIInChI=1S/3C26H31N5O3.3C25H28N4O4/c1-31-9-7-21(8-10-31)34-25-13-17(20-15-28-29-16-20)4-6-23(25)30-26(32)24-12-19-11-22(33-2)5-3-18(19)14-27-24;1-31-8-7-17(15-31)16-34-25-11-18(21-13-28-29-14-21)4-6-23(25)30-26(32)24-10-20-9-22(33-2)5-3-19(20)12-27-24;1-31-9-3-4-21(31)16-34-25-12-17(20-14-28-29-15-20)6-8-23(25)30-26(32)24-11-19-10-22(33-2)7-5-18(19)13-27-24;1-31-21-4-2-17-13-26-23(11-18(17)10-21)25(30)29-22-5-3-16(19-14-27-28-15-19)12-24(22)33-20-6-8-32-9-7-20;1-31-21-4-2-18-11-26-23(9-19(18)8-21)25(30)29-22-5-3-17(20-12-27-28-13-20)10-24(22)33-15-16-6-7-32-14-16;1-31-20-6-4-17-12-26-23(10-18(17)9-20)25(30)29-22-7-5-16(19-13-27-28-14-19)11-24(22)33-15-21-3-2-8-32-21/h3-6,11,13,15-16,21,24,27H,7-10,12,14H2,1-2H3,(H,28,29)(H,30,32);3-6,9,11,13-14,17,24,27H,7-8,10,12,15-16H2,1-2H3,(H,28,29)(H,30,32);5-8,10,12,14-15,21,24,27H,3-4,9,11,13,16H2,1-2H3,(H,28,29)(H,30,32);2-5,10,12,14-15,20,23,26H,6-9,11,13H2,1H3,(H,27,28)(H,29,30);2-5,8,10,12-13,16,23,26H,6-7,9,11,14-15H2,1H3,(H,27,28)(H,29,30);4-7,9,11,13-14,21,23,26H,2-3,8,10,12,15H2,1H3,(H,27,28)(H,29,30)/t24-;17?,24-;21?,24-;23-;16?,23-;21?,23-/m111111/s1
InChIKeyGVUPSUJLXBEILA-LZBZOGABSA-N
MW2730.27 g/mol
LogP19.24
Rot. Bonds40

About (3R)-6-methoxy-N-[2-(1-methylpiperidin-4-yl)oxy-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-[(1-methylpyrrolidin-2-yl)methoxy]-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-[(1-methylpyrrolidin-3-yl)methoxy]-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-(oxan-4-yloxy)-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-(oxolan-2-ylmethoxy)-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-(oxolan-3-ylmethoxy)-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

(3R)-6-methoxy-N-[2-(1-methylpiperidin-4-yl)oxy-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-[(1-methylpyrrolidin-2-yl)methoxy]-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-[(1-methylpyrrolidin-3-yl)methoxy]-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-(oxan-4-yloxy)-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-(oxolan-2-ylmethoxy)-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-(oxolan-3-ylmethoxy)-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 158381159) has the molecular formula C153H177N27O21 and a molecular weight of 2730.27 g/mol. Its IUPAC name is (3R)-6-methoxy-N-[2-(1-methylpiperidin-4-yl)oxy-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-[(1-methylpyrrolidin-2-yl)methoxy]-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-[(1-methylpyrrolidin-3-yl)methoxy]-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-(oxan-4-yloxy)-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-(oxolan-2-ylmethoxy)-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-(oxolan-3-ylmethoxy)-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound Name(3R)-6-methoxy-N-[2-(1-methylpiperidin-4-yl)oxy-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-[(1-methylpyrrolidin-2-yl)methoxy]-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-[(1-methylpyrrolidin-3-yl)methoxy]-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-(oxan-4-yloxy)-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-(oxolan-2-ylmethoxy)-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-(oxolan-3-ylmethoxy)-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID158381159
Molecular FormulaC153H177N27O21
Molecular Weight2730.27 g/mol
Exact Mass2728.36
IUPAC Name(3R)-6-methoxy-N-[2-(1-methylpiperidin-4-yl)oxy-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-[(1-methylpyrrolidin-2-yl)methoxy]-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-[(1-methylpyrrolidin-3-yl)methoxy]-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-(oxan-4-yloxy)-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-(oxolan-2-ylmethoxy)-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-(oxolan-3-ylmethoxy)-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCOc1ccc2c(c1)C[C@H](C(=O)Nc1ccc(-c3cn[nH]c3)cc1OC1CCN(C)CC1)NC2.COc1ccc2c(c1)C[C@H](C(=O)Nc1ccc(-c3cn[nH]c3)cc1OC1CCOCC1)NC2.COc1ccc2c(c1)C[C@H](C(=O)Nc1ccc(-c3cn[nH]c3)cc1OCC1CCCN1C)NC2.COc1ccc2c(c1)C[C@H](C(=O)Nc1ccc(-c3cn[nH]c3)cc1OCC1CCCO1)NC2.COc1ccc2c(c1)C[C@H](C(=O)Nc1ccc(-c3cn[nH]c3)cc1OCC1CCN(C)C1)NC2.COc1ccc2c(c1)C[C@H](C(=O)Nc1ccc(-c3cn[nH]c3)cc1OCC1CCOC1)NC2
InChIInChI=1S/3C26H31N5O3.3C25H28N4O4/c1-31-9-7-21(8-10-31)34-25-13-17(20-15-28-29-16-20)4-6-23(25)30-26(32)24-12-19-11-22(33-2)5-3-18(19)14-27-24;1-31-8-7-17(15-31)16-34-25-11-18(21-13-28-29-14-21)4-6-23(25)30-26(32)24-10-20-9-22(33-2)5-3-19(20)12-27-24;1-31-9-3-4-21(31)16-34-25-12-17(20-14-28-29-15-20)6-8-23(25)30-26(32)24-11-19-10-22(33-2)7-5-18(19)13-27-24;1-31-21-4-2-17-13-26-23(11-18(17)10-21)25(30)29-22-5-3-16(19-14-27-28-15-19)12-24(22)33-20-6-8-32-9-7-20;1-31-21-4-2-18-11-26-23(9-19(18)8-21)25(30)29-22-5-3-17(20-12-27-28-13-20)10-24(22)33-15-16-6-7-32-14-16;1-31-20-6-4-17-12-26-23(10-18(17)9-20)25(30)29-22-7-5-16(19-13-27-28-14-19)11-24(22)33-15-21-3-2-8-32-21/h3-6,11,13,15-16,21,24,27H,7-10,12,14H2,1-2H3,(H,28,29)(H,30,32);3-6,9,11,13-14,17,24,27H,7-8,10,12,15-16H2,1-2H3,(H,28,29)(H,30,32);5-8,10,12,14-15,21,24,27H,3-4,9,11,13,16H2,1-2H3,(H,28,29)(H,30,32);2-5,10,12,14-15,20,23,26H,6-9,11,13H2,1H3,(H,27,28)(H,29,30);2-5,8,10,12-13,16,23,26H,6-7,9,11,14-15H2,1H3,(H,27,28)(H,29,30);4-7,9,11,13-14,21,23,26H,2-3,8,10,12,15H2,1H3,(H,27,28)(H,29,30)/t24-;17?,24-;21?,24-;23-;16?,23-;21?,23-/m111111/s1
InChIKeyGVUPSUJLXBEILA-LZBZOGABSA-N
XLogP19.24
TPSA567.03 Ų
H-Bond Donors18
H-Bond Acceptors36
Rotatable Bonds40
Heavy Atoms201
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002730.27
LogP ≤ 519.24
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1036

Analyze (3R)-6-methoxy-N-[2-(1-methylpiperidin-4-yl)oxy-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-[(1-methylpyrrolidin-2-yl)methoxy]-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-[(1-methylpyrrolidin-3-yl)methoxy]-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-(oxan-4-yloxy)-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-(oxolan-2-ylmethoxy)-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-(oxolan-3-ylmethoxy)-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-6-methoxy-N-[2-(1-methylpiperidin-4-yl)oxy-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-[(1-methylpyrrolidin-2-yl)methoxy]-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-[(1-methylpyrrolidin-3-yl)methoxy]-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-(oxan-4-yloxy)-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-(oxolan-2-ylmethoxy)-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-(oxolan-3-ylmethoxy)-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of (3R)-6-methoxy-N-[2-(1-methylpiperidin-4-yl)oxy-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-[(1-methylpyrrolidin-2-yl)methoxy]-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-[(1-methylpyrrolidin-3-yl)methoxy]-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-(oxan-4-yloxy)-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-(oxolan-2-ylmethoxy)-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-(oxolan-3-ylmethoxy)-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 158381159) is (3R)-6-methoxy-N-[2-(1-methylpiperidin-4-yl)oxy-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-[(1-methylpyrrolidin-2-yl)methoxy]-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-[(1-methylpyrrolidin-3-yl)methoxy]-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-(oxan-4-yloxy)-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-(oxolan-2-ylmethoxy)-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-(oxolan-3-ylmethoxy)-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for (3R)-6-methoxy-N-[2-(1-methylpiperidin-4-yl)oxy-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-[(1-methylpyrrolidin-2-yl)methoxy]-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-[(1-methylpyrrolidin-3-yl)methoxy]-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-(oxan-4-yloxy)-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-(oxolan-2-ylmethoxy)-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-(oxolan-3-ylmethoxy)-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for (3R)-6-methoxy-N-[2-(1-methylpiperidin-4-yl)oxy-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-[(1-methylpyrrolidin-2-yl)methoxy]-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-[(1-methylpyrrolidin-3-yl)methoxy]-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-(oxan-4-yloxy)-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-(oxolan-2-ylmethoxy)-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-(oxolan-3-ylmethoxy)-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is COc1ccc2c(c1)C[C@H](C(=O)Nc1ccc(-c3cn[nH]c3)cc1OC1CCN(C)CC1)NC2.COc1ccc2c(c1)C[C@H](C(=O)Nc1ccc(-c3cn[nH]c3)cc1OC1CCOCC1)NC2.COc1ccc2c(c1)C[C@H](C(=O)Nc1ccc(-c3cn[nH]c3)cc1OCC1CCCN1C)NC2.COc1ccc2c(c1)C[C@H](C(=O)Nc1ccc(-c3cn[nH]c3)cc1OCC1CCCO1)NC2.COc1ccc2c(c1)C[C@H](C(=O)Nc1ccc(-c3cn[nH]c3)cc1OCC1CCN(C)C1)NC2.COc1ccc2c(c1)C[C@H](C(=O)Nc1ccc(-c3cn[nH]c3)cc1OCC1CCOC1)NC2.
What is the InChIKey of (3R)-6-methoxy-N-[2-(1-methylpiperidin-4-yl)oxy-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-[(1-methylpyrrolidin-2-yl)methoxy]-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-[(1-methylpyrrolidin-3-yl)methoxy]-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-(oxan-4-yloxy)-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-(oxolan-2-ylmethoxy)-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-(oxolan-3-ylmethoxy)-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is GVUPSUJLXBEILA-LZBZOGABSA-N. The full InChI is InChI=1S/3C26H31N5O3.3C25H28N4O4/c1-31-9-7-21(8-10-31)34-25-13-17(20-15-28-29-16-20)4-6-23(25)30-26(32)24-12-19-11-22(33-2)5-3-18(19)14-27-24;1-31-8-7-17(15-31)16-34-25-11-18(21-13-28-29-14-21)4-6-23(25)30-26(32)24-10-20-9-22(33-2)5-3-19(20)12-27-24;1-31-9-3-4-21(31)16-34-25-12-17(20-14-28-29-15-20)6-8-23(25)30-26(32)24-11-19-10-22(33-2)7-5-18(19)13-27-24;1-31-21-4-2-17-13-26-23(11-18(17)10-21)25(30)29-22-5-3-16(19-14-27-28-15-19)12-24(22)33-20-6-8-32-9-7-20;1-31-21-4-2-18-11-26-23(9-19(18)8-21)25(30)29-22-5-3-17(20-12-27-28-13-20)10-24(22)33-15-16-6-7-32-14-16;1-31-20-6-4-17-12-26-23(10-18(17)9-20)25(30)29-22-7-5-16(19-13-27-28-14-19)11-24(22)33-15-21-3-2-8-32-21/h3-6,11,13,15-16,21,24,27H,7-10,12,14H2,1-2H3,(H,28,29)(H,30,32);3-6,9,11,13-14,17,24,27H,7-8,10,12,15-16H2,1-2H3,(H,28,29)(H,30,32);5-8,10,12,14-15,21,24,27H,3-4,9,11,13,16H2,1-2H3,(H,28,29)(H,30,32);2-5,10,12,14-15,20,23,26H,6-9,11,13H2,1H3,(H,27,28)(H,29,30);2-5,8,10,12-13,16,23,26H,6-7,9,11,14-15H2,1H3,(H,27,28)(H,29,30);4-7,9,11,13-14,21,23,26H,2-3,8,10,12,15H2,1H3,(H,27,28)(H,29,30)/t24-;17?,24-;21?,24-;23-;16?,23-;21?,23-/m111111/s1.
What are the key properties of (3R)-6-methoxy-N-[2-(1-methylpiperidin-4-yl)oxy-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-[(1-methylpyrrolidin-2-yl)methoxy]-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-[(1-methylpyrrolidin-3-yl)methoxy]-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-(oxan-4-yloxy)-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-(oxolan-2-ylmethoxy)-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-(oxolan-3-ylmethoxy)-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
(3R)-6-methoxy-N-[2-(1-methylpiperidin-4-yl)oxy-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-[(1-methylpyrrolidin-2-yl)methoxy]-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-[(1-methylpyrrolidin-3-yl)methoxy]-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-(oxan-4-yloxy)-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-(oxolan-2-ylmethoxy)-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-(oxolan-3-ylmethoxy)-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 2730.27 g/mol, XLogP of 19.24, 40 rotatable bonds, 18 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-methoxy-N-[2-(1-methylpiperidin-4-yl)oxy-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-[(1-methylpyrrolidin-2-yl)methoxy]-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-[(1-methylpyrrolidin-3-yl)methoxy]-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-(oxan-4-yloxy)-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-(oxolan-2-ylmethoxy)-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-6-methoxy-N-[2-(oxolan-3-ylmethoxy)-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 158381159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).