N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]imidazo[1,2-a]pyridine-2-carboxamide

C38H43N7O4 — CID 78132655

IUPACN-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc(NC(=O)c3cn4ccccc4n3)cc2C(=O)N2Cc3ccccc3CC2CO)n1
InChIInChI=1S/C38H43N7O4/c1-4-6-17-42(18-7-5-2)38(49)32-20-26(3)45(41-32)34-16-15-29(39-36(47)33-24-43-19-11-10-14-35(43)40-33)22-31(34)37(48)44-23-28-13-9-8-12-27(28)21-30(44)25-46/h8-16,19-20,22,24,30,46H,4-7,17-18,21,23,25H2,1-3H3,(H,39,47)
InChIKeyRCBGARIRARKUPC-UHFFFAOYSA-N
MW661.81 g/mol
LogP5.68
Rot. Bonds12

About N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]imidazo[1,2-a]pyridine-2-carboxamide

N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 78132655) has the molecular formula C38H43N7O4 and a molecular weight of 661.81 g/mol. Its IUPAC name is N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID78132655
Molecular FormulaC38H43N7O4
Molecular Weight661.81 g/mol
Exact Mass661.34
IUPAC NameN-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc(NC(=O)c3cn4ccccc4n3)cc2C(=O)N2Cc3ccccc3CC2CO)n1
InChIInChI=1S/C38H43N7O4/c1-4-6-17-42(18-7-5-2)38(49)32-20-26(3)45(41-32)34-16-15-29(39-36(47)33-24-43-19-11-10-14-35(43)40-33)22-31(34)37(48)44-23-28-13-9-8-12-27(28)21-30(44)25-46/h8-16,19-20,22,24,30,46H,4-7,17-18,21,23,25H2,1-3H3,(H,39,47)
InChIKeyRCBGARIRARKUPC-UHFFFAOYSA-N
XLogP5.68
TPSA125.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.81
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]imidazo[1,2-a]pyridine-2-carboxamide with MolForge

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Related Compounds

1-methyl-4-(morpholine-4-carbonyl)-N-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide
CID 51034710
N-(2-Fluoro-5-(2-(4-methylpiperazin-1-yl)benzylcarbamoyl)phenyl)-7-(1-methyl-1H-pyrazol-5-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 71283192
N-(2-Fluoro-5-(2-(4-methylpiperazin-1-yl)benzylcarbamoyl)phenyl)-7-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 71283574
N-(5-(2-(2,6-cis-dimethylpiperidin-1-yl)ethylcarbamoyl)-2-fluorophenyl)-7-(1-methyl-1H-pyrazol-5-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 71283030
N-[(1R,2R)-2-hydroxycyclohexyl]-1-methyl-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide
CID 145983485
N-[(1R,2R)-2-hydroxycyclohexyl]-1-methyl-4-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide
CID 145985917
2-[(4-Hydroxycyclohexyl)amino]-4-[5-[4-(1-propan-2-ylpyrazol-4-yl)imidazol-1-yl]isoquinolin-1-yl]benzamide
CID 89886862
2-(4-Hydroxycyclohexylamino)-4-(5-(4-(1-isobutyl-1H-pyrazol-4-yl)-1H-imidazol-1-yl)isoquinolin-1-yl)benzamide
CID 89886887
N-[5-[7-[(2S)-1-hydroxypropan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-indazol-2-ylacetamide
CID 90683981
N-[5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-indazol-2-ylacetamide
CID 90683996
N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[(1-methylimidazol-4-yl)sulfinylamino]phenyl]-5-methylpyrazole-3-carboxamide
CID 117957644
N-[2-hydroxy-1-(6-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-1H-indazole-4-carboxamide
CID 155167349

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 78132655) is N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]imidazo[1,2-a]pyridine-2-carboxamide is CCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc(NC(=O)c3cn4ccccc4n3)cc2C(=O)N2Cc3ccccc3CC2CO)n1.
What is the InChIKey of N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is RCBGARIRARKUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H43N7O4/c1-4-6-17-42(18-7-5-2)38(49)32-20-26(3)45(41-32)34-16-15-29(39-36(47)33-24-43-19-11-10-14-35(43)40-33)22-31(34)37(48)44-23-28-13-9-8-12-27(28)21-30(44)25-46/h8-16,19-20,22,24,30,46H,4-7,17-18,21,23,25H2,1-3H3,(H,39,47).
What are the key properties of N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 661.81 g/mol, XLogP of 5.68, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 78132655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).