N-[[4-(6-methylpyrazin-2-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[[4-[(2-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide

C42H38N12O7S2 — CID 157478150

IUPACN-[[4-(6-methylpyrazin-2-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[[4-[(2-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
SMILESCc1cncc(S(=O)(=O)c2ccc(CNC(=O)c3cnc4[nH]ncc4c3)cc2)n1.O=C(NCc1ccc(S(=O)(=O)c2cccnc2N2CCOCC2)cc1)c1cnc2nccn2c1
InChIInChI=1S/C23H22N6O4S.C19H16N6O3S/c30-22(18-15-27-23-25-8-9-29(23)16-18)26-14-17-3-5-19(6-4-17)34(31,32)20-2-1-7-24-21(20)28-10-12-33-13-11-28;1-12-7-20-11-17(24-12)29(27,28)16-4-2-13(3-5-16)8-22-19(26)15-6-14-10-23-25-18(14)21-9-15/h1-9,15-16H,10-14H2,(H,26,30);2-7,9-11H,8H2,1H3,(H,22,26)(H,21,23,25)
InChIKeyBVVMOQJJWWJUPB-UHFFFAOYSA-N
MW886.98 g/mol
LogP3.54
Rot. Bonds11

About N-[[4-(6-methylpyrazin-2-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[[4-[(2-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide

N-[[4-(6-methylpyrazin-2-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[[4-[(2-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide (PubChem CID 157478150) has the molecular formula C42H38N12O7S2 and a molecular weight of 886.98 g/mol. Its IUPAC name is N-[[4-(6-methylpyrazin-2-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[[4-[(2-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[[4-(6-methylpyrazin-2-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[[4-[(2-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
PubChem CID157478150
Molecular FormulaC42H38N12O7S2
Molecular Weight886.98 g/mol
Exact Mass886.24
IUPAC NameN-[[4-(6-methylpyrazin-2-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[[4-[(2-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
SMILESCc1cncc(S(=O)(=O)c2ccc(CNC(=O)c3cnc4[nH]ncc4c3)cc2)n1.O=C(NCc1ccc(S(=O)(=O)c2cccnc2N2CCOCC2)cc1)c1cnc2nccn2c1
InChIInChI=1S/C23H22N6O4S.C19H16N6O3S/c30-22(18-15-27-23-25-8-9-29(23)16-18)26-14-17-3-5-19(6-4-17)34(31,32)20-2-1-7-24-21(20)28-10-12-33-13-11-28;1-12-7-20-11-17(24-12)29(27,28)16-4-2-13(3-5-16)8-22-19(26)15-6-14-10-23-25-18(14)21-9-15/h1-9,15-16H,10-14H2,(H,26,30);2-7,9-11H,8H2,1H3,(H,22,26)(H,21,23,25)
InChIKeyBVVMOQJJWWJUPB-UHFFFAOYSA-N
XLogP3.54
TPSA249.38 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds11
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500886.98
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Analyze N-[[4-(6-methylpyrazin-2-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[[4-[(2-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(6-methylpyrazin-2-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[[4-[(2-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[[4-(6-methylpyrazin-2-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[[4-[(2-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide (CID 157478150) is N-[[4-(6-methylpyrazin-2-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[[4-[(2-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[[4-(6-methylpyrazin-2-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[[4-[(2-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[[4-(6-methylpyrazin-2-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[[4-[(2-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide is Cc1cncc(S(=O)(=O)c2ccc(CNC(=O)c3cnc4[nH]ncc4c3)cc2)n1.O=C(NCc1ccc(S(=O)(=O)c2cccnc2N2CCOCC2)cc1)c1cnc2nccn2c1.
What is the InChIKey of N-[[4-(6-methylpyrazin-2-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[[4-[(2-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide?
The InChIKey is BVVMOQJJWWJUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O4S.C19H16N6O3S/c30-22(18-15-27-23-25-8-9-29(23)16-18)26-14-17-3-5-19(6-4-17)34(31,32)20-2-1-7-24-21(20)28-10-12-33-13-11-28;1-12-7-20-11-17(24-12)29(27,28)16-4-2-13(3-5-16)8-22-19(26)15-6-14-10-23-25-18(14)21-9-15/h1-9,15-16H,10-14H2,(H,26,30);2-7,9-11H,8H2,1H3,(H,22,26)(H,21,23,25).
What are the key properties of N-[[4-(6-methylpyrazin-2-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[[4-[(2-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide?
N-[[4-(6-methylpyrazin-2-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[[4-[(2-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide has a molecular weight of 886.98 g/mol, XLogP of 3.54, 11 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(6-methylpyrazin-2-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[[4-[(2-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 157478150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).