1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(oxan-4-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-[[(3R)-oxolan-3-yl]methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(oxolan-3-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(oxan-4-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(3R)-oxolan-3-yl]pyrazole-4-carboxamide

C146H178N42O12 — CID 167606026

IUPAC1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(oxan-4-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-[[(3R)-oxolan-3-yl]methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(oxolan-3-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(oxan-4-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(3R)-oxolan-3-yl]pyrazole-4-carboxamide
SMILESCc1cc(-c2cnc(N)c(-n3cc(C(=O)N(C)C4CCOC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)N(C)C4CCOCC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)N(C)C[C@@H]4CCOC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)N(C)C[C@H]4CCOC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)NC4CCOCC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)N[C@@H]4CCOC4)cn3)n2)cc2c1CCN(C)C2
InChIInChI=1S/3C25H31N7O2.2C24H29N7O2.C23H27N7O2/c1-16-10-17(11-18-14-30(2)7-4-21(16)18)22-13-27-23(26)24(29-22)32-15-19(12-28-32)25(33)31(3)20-5-8-34-9-6-20;2*1-16-8-18(9-19-13-30(2)6-4-21(16)19)22-11-27-23(26)24(29-22)32-14-20(10-28-32)25(33)31(3)12-17-5-7-34-15-17;1-15-8-16(9-17-12-29(2)6-4-20(15)17)21-11-26-22(25)23(28-21)31-13-18(10-27-31)24(32)30(3)19-5-7-33-14-19;1-15-9-16(10-17-13-30(2)6-3-20(15)17)21-12-26-22(25)23(29-21)31-14-18(11-27-31)24(32)28-19-4-7-33-8-5-19;1-14-7-15(8-16-11-29(2)5-3-19(14)16)20-10-25-21(24)22(28-20)30-12-17(9-26-30)23(31)27-18-4-6-32-13-18/h10-13,15,20H,4-9,14H2,1-3H3,(H2,26,27);2*8-11,14,17H,4-7,12-13,15H2,1-3H3,(H2,26,27);8-11,13,19H,4-7,12,14H2,1-3H3,(H2,25,26);9-12,14,19H,3-8,13H2,1-2H3,(H2,25,26)(H,28,32);7-10,12,18H,3-6,11,13H2,1-2H3,(H2,24,25)(H,27,31)/t;2*17-;;;18-/m.10..1/s1
InChIKeyKJWATOCSDBDPQT-UFBMICJMSA-N
MW2713.31 g/mol
LogP13.00
Rot. Bonds26

About 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(oxan-4-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-[[(3R)-oxolan-3-yl]methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(oxolan-3-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(oxan-4-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(3R)-oxolan-3-yl]pyrazole-4-carboxamide

1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(oxan-4-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-[[(3R)-oxolan-3-yl]methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(oxolan-3-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(oxan-4-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(3R)-oxolan-3-yl]pyrazole-4-carboxamide (PubChem CID 167606026) has the molecular formula C146H178N42O12 and a molecular weight of 2713.31 g/mol. Its IUPAC name is 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(oxan-4-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-[[(3R)-oxolan-3-yl]methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(oxolan-3-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(oxan-4-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(3R)-oxolan-3-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(oxan-4-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-[[(3R)-oxolan-3-yl]methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(oxolan-3-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(oxan-4-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(3R)-oxolan-3-yl]pyrazole-4-carboxamide
PubChem CID167606026
Molecular FormulaC146H178N42O12
Molecular Weight2713.31 g/mol
Exact Mass2711.46
IUPAC Name1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(oxan-4-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-[[(3R)-oxolan-3-yl]methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(oxolan-3-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(oxan-4-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(3R)-oxolan-3-yl]pyrazole-4-carboxamide
SMILESCc1cc(-c2cnc(N)c(-n3cc(C(=O)N(C)C4CCOC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)N(C)C4CCOCC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)N(C)C[C@@H]4CCOC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)N(C)C[C@H]4CCOC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)NC4CCOCC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)N[C@@H]4CCOC4)cn3)n2)cc2c1CCN(C)C2
InChIInChI=1S/3C25H31N7O2.2C24H29N7O2.C23H27N7O2/c1-16-10-17(11-18-14-30(2)7-4-21(16)18)22-13-27-23(26)24(29-22)32-15-19(12-28-32)25(33)31(3)20-5-8-34-9-6-20;2*1-16-8-18(9-19-13-30(2)6-4-21(16)19)22-11-27-23(26)24(29-22)32-14-20(10-28-32)25(33)31(3)12-17-5-7-34-15-17;1-15-8-16(9-17-12-29(2)6-4-20(15)17)21-11-26-22(25)23(28-21)31-13-18(10-27-31)24(32)30(3)19-5-7-33-14-19;1-15-9-16(10-17-13-30(2)6-3-20(15)17)21-12-26-22(25)23(29-21)31-14-18(11-27-31)24(32)28-19-4-7-33-8-5-19;1-14-7-15(8-16-11-29(2)5-3-19(14)16)20-10-25-21(24)22(28-20)30-12-17(9-26-30)23(31)27-18-4-6-32-13-18/h10-13,15,20H,4-9,14H2,1-3H3,(H2,26,27);2*8-11,14,17H,4-7,12-13,15H2,1-3H3,(H2,26,27);8-11,13,19H,4-7,12,14H2,1-3H3,(H2,25,26);9-12,14,19H,3-8,13H2,1-2H3,(H2,25,26)(H,28,32);7-10,12,18H,3-6,11,13H2,1-2H3,(H2,24,25)(H,27,31)/t;2*17-;;;18-/m.10..1/s1
InChIKeyKJWATOCSDBDPQT-UFBMICJMSA-N
XLogP13.00
TPSA631.98 Ų
H-Bond Donors8
H-Bond Acceptors48
Rotatable Bonds26
Heavy Atoms200
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002713.31
LogP ≤ 513.00
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1048

Analyze 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(oxan-4-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-[[(3R)-oxolan-3-yl]methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(oxolan-3-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(oxan-4-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(3R)-oxolan-3-yl]pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(oxan-4-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-[[(3R)-oxolan-3-yl]methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(oxolan-3-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(oxan-4-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(3R)-oxolan-3-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(oxan-4-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-[[(3R)-oxolan-3-yl]methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(oxolan-3-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(oxan-4-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(3R)-oxolan-3-yl]pyrazole-4-carboxamide (CID 167606026) is 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(oxan-4-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-[[(3R)-oxolan-3-yl]methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(oxolan-3-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(oxan-4-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(3R)-oxolan-3-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(oxan-4-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-[[(3R)-oxolan-3-yl]methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(oxolan-3-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(oxan-4-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(3R)-oxolan-3-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(oxan-4-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-[[(3R)-oxolan-3-yl]methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(oxolan-3-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(oxan-4-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(3R)-oxolan-3-yl]pyrazole-4-carboxamide is Cc1cc(-c2cnc(N)c(-n3cc(C(=O)N(C)C4CCOC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)N(C)C4CCOCC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)N(C)C[C@@H]4CCOC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)N(C)C[C@H]4CCOC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)NC4CCOCC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)N[C@@H]4CCOC4)cn3)n2)cc2c1CCN(C)C2.
What is the InChIKey of 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(oxan-4-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-[[(3R)-oxolan-3-yl]methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(oxolan-3-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(oxan-4-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(3R)-oxolan-3-yl]pyrazole-4-carboxamide?
The InChIKey is KJWATOCSDBDPQT-UFBMICJMSA-N. The full InChI is InChI=1S/3C25H31N7O2.2C24H29N7O2.C23H27N7O2/c1-16-10-17(11-18-14-30(2)7-4-21(16)18)22-13-27-23(26)24(29-22)32-15-19(12-28-32)25(33)31(3)20-5-8-34-9-6-20;2*1-16-8-18(9-19-13-30(2)6-4-21(16)19)22-11-27-23(26)24(29-22)32-14-20(10-28-32)25(33)31(3)12-17-5-7-34-15-17;1-15-8-16(9-17-12-29(2)6-4-20(15)17)21-11-26-22(25)23(28-21)31-13-18(10-27-31)24(32)30(3)19-5-7-33-14-19;1-15-9-16(10-17-13-30(2)6-3-20(15)17)21-12-26-22(25)23(29-21)31-14-18(11-27-31)24(32)28-19-4-7-33-8-5-19;1-14-7-15(8-16-11-29(2)5-3-19(14)16)20-10-25-21(24)22(28-20)30-12-17(9-26-30)23(31)27-18-4-6-32-13-18/h10-13,15,20H,4-9,14H2,1-3H3,(H2,26,27);2*8-11,14,17H,4-7,12-13,15H2,1-3H3,(H2,26,27);8-11,13,19H,4-7,12,14H2,1-3H3,(H2,25,26);9-12,14,19H,3-8,13H2,1-2H3,(H2,25,26)(H,28,32);7-10,12,18H,3-6,11,13H2,1-2H3,(H2,24,25)(H,27,31)/t;2*17-;;;18-/m.10..1/s1.
What are the key properties of 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(oxan-4-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-[[(3R)-oxolan-3-yl]methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(oxolan-3-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(oxan-4-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(3R)-oxolan-3-yl]pyrazole-4-carboxamide?
1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(oxan-4-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-[[(3R)-oxolan-3-yl]methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(oxolan-3-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(oxan-4-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(3R)-oxolan-3-yl]pyrazole-4-carboxamide has a molecular weight of 2713.31 g/mol, XLogP of 13.00, 26 rotatable bonds, 8 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(oxan-4-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-[[(3R)-oxolan-3-yl]methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(oxolan-3-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(oxan-4-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(3R)-oxolan-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 167606026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).