N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-methoxy-2-(1-methylpyrazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide

C25H27N9O4 — CID 146604130

IUPACN-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-methoxy-2-(1-methylpyrazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide
SMILESCOc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@H](C)CO)n1)CN(C(=O)c1cnn(C)c1)CC2
InChIInChI=1S/C25H27N9O4/c1-15(14-35)34-23(29-30-31-34)20-5-4-6-22(27-20)28-24(36)19-9-17-13-33(8-7-16(17)10-21(19)38-3)25(37)18-11-26-32(2)12-18/h4-6,9-12,15,35H,7-8,13-14H2,1-3H3,(H,27,28,36)/t15-/m1/s1
InChIKeyWBENGODJTFRBAE-OAHLLOKOSA-N
MW517.55 g/mol
LogP1.48
Rot. Bonds7

About N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-methoxy-2-(1-methylpyrazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide

N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-methoxy-2-(1-methylpyrazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide (PubChem CID 146604130) has the molecular formula C25H27N9O4 and a molecular weight of 517.55 g/mol. Its IUPAC name is N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-methoxy-2-(1-methylpyrazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide.

Molecular Properties

Compound NameN-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-methoxy-2-(1-methylpyrazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide
PubChem CID146604130
Molecular FormulaC25H27N9O4
Molecular Weight517.55 g/mol
Exact Mass517.22
IUPAC NameN-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-methoxy-2-(1-methylpyrazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide
SMILESCOc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@H](C)CO)n1)CN(C(=O)c1cnn(C)c1)CC2
InChIInChI=1S/C25H27N9O4/c1-15(14-35)34-23(29-30-31-34)20-5-4-6-22(27-20)28-24(36)19-9-17-13-33(8-7-16(17)10-21(19)38-3)25(37)18-11-26-32(2)12-18/h4-6,9-12,15,35H,7-8,13-14H2,1-3H3,(H,27,28,36)/t15-/m1/s1
InChIKeyWBENGODJTFRBAE-OAHLLOKOSA-N
XLogP1.48
TPSA153.18 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.55
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-methoxy-2-(1-methylpyrazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-methoxy-2-(1-methylpyrazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide?
The IUPAC name of N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-methoxy-2-(1-methylpyrazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide (CID 146604130) is N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-methoxy-2-(1-methylpyrazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide.
What is the SMILES notation for N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-methoxy-2-(1-methylpyrazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide?
The canonical SMILES for N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-methoxy-2-(1-methylpyrazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide is COc1cc2c(cc1C(=O)Nc1cccc(-c3nnnn3[C@H](C)CO)n1)CN(C(=O)c1cnn(C)c1)CC2.
What is the InChIKey of N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-methoxy-2-(1-methylpyrazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide?
The InChIKey is WBENGODJTFRBAE-OAHLLOKOSA-N. The full InChI is InChI=1S/C25H27N9O4/c1-15(14-35)34-23(29-30-31-34)20-5-4-6-22(27-20)28-24(36)19-9-17-13-33(8-7-16(17)10-21(19)38-3)25(37)18-11-26-32(2)12-18/h4-6,9-12,15,35H,7-8,13-14H2,1-3H3,(H,27,28,36)/t15-/m1/s1.
What are the key properties of N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-methoxy-2-(1-methylpyrazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide?
N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-methoxy-2-(1-methylpyrazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide has a molecular weight of 517.55 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-methoxy-2-(1-methylpyrazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide is sourced from PubChem (CID 146604130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).