N-[1-cyclohexyl-2-[[4-[3-(imidazo[1,2-a]pyridin-2-ylmethylamino)-3-oxo-2-(propanoylamino)propyl]phenyl]methylamino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide

C34H42N8O4 — CID 155055893

IUPACN-[1-cyclohexyl-2-[[4-[3-(imidazo[1,2-a]pyridin-2-ylmethylamino)-3-oxo-2-(propanoylamino)propyl]phenyl]methylamino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
SMILESCCC(=O)NC(Cc1ccc(CNC(=O)C(NC(=O)c2ccnn2C)C2CCCCC2)cc1)C(=O)NCc1cn2ccccc2n1
InChIInChI=1S/C34H42N8O4/c1-3-30(43)39-27(32(44)36-21-26-22-42-18-8-7-11-29(42)38-26)19-23-12-14-24(15-13-23)20-35-34(46)31(25-9-5-4-6-10-25)40-33(45)28-16-17-37-41(28)2/h7-8,11-18,22,25,27,31H,3-6,9-10,19-21H2,1-2H3,(H,35,46)(H,36,44)(H,39,43)(H,40,45)
InChIKeyNSYQWSPLVDBCFS-UHFFFAOYSA-N
MW626.76 g/mol
LogP2.82
Rot. Bonds13

About N-[1-cyclohexyl-2-[[4-[3-(imidazo[1,2-a]pyridin-2-ylmethylamino)-3-oxo-2-(propanoylamino)propyl]phenyl]methylamino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide

N-[1-cyclohexyl-2-[[4-[3-(imidazo[1,2-a]pyridin-2-ylmethylamino)-3-oxo-2-(propanoylamino)propyl]phenyl]methylamino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide (PubChem CID 155055893) has the molecular formula C34H42N8O4 and a molecular weight of 626.76 g/mol. Its IUPAC name is N-[1-cyclohexyl-2-[[4-[3-(imidazo[1,2-a]pyridin-2-ylmethylamino)-3-oxo-2-(propanoylamino)propyl]phenyl]methylamino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-cyclohexyl-2-[[4-[3-(imidazo[1,2-a]pyridin-2-ylmethylamino)-3-oxo-2-(propanoylamino)propyl]phenyl]methylamino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
PubChem CID155055893
Molecular FormulaC34H42N8O4
Molecular Weight626.76 g/mol
Exact Mass626.33
IUPAC NameN-[1-cyclohexyl-2-[[4-[3-(imidazo[1,2-a]pyridin-2-ylmethylamino)-3-oxo-2-(propanoylamino)propyl]phenyl]methylamino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
SMILESCCC(=O)NC(Cc1ccc(CNC(=O)C(NC(=O)c2ccnn2C)C2CCCCC2)cc1)C(=O)NCc1cn2ccccc2n1
InChIInChI=1S/C34H42N8O4/c1-3-30(43)39-27(32(44)36-21-26-22-42-18-8-7-11-29(42)38-26)19-23-12-14-24(15-13-23)20-35-34(46)31(25-9-5-4-6-10-25)40-33(45)28-16-17-37-41(28)2/h7-8,11-18,22,25,27,31H,3-6,9-10,19-21H2,1-2H3,(H,35,46)(H,36,44)(H,39,43)(H,40,45)
InChIKeyNSYQWSPLVDBCFS-UHFFFAOYSA-N
XLogP2.82
TPSA151.52 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500626.76
LogP ≤ 52.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N-[1-cyclohexyl-2-[[4-[3-(imidazo[1,2-a]pyridin-2-ylmethylamino)-3-oxo-2-(propanoylamino)propyl]phenyl]methylamino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-cyclohexyl-2-[[4-[3-(imidazo[1,2-a]pyridin-2-ylmethylamino)-3-oxo-2-(propanoylamino)propyl]phenyl]methylamino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[1-cyclohexyl-2-[[4-[3-(imidazo[1,2-a]pyridin-2-ylmethylamino)-3-oxo-2-(propanoylamino)propyl]phenyl]methylamino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide (CID 155055893) is N-[1-cyclohexyl-2-[[4-[3-(imidazo[1,2-a]pyridin-2-ylmethylamino)-3-oxo-2-(propanoylamino)propyl]phenyl]methylamino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-cyclohexyl-2-[[4-[3-(imidazo[1,2-a]pyridin-2-ylmethylamino)-3-oxo-2-(propanoylamino)propyl]phenyl]methylamino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-cyclohexyl-2-[[4-[3-(imidazo[1,2-a]pyridin-2-ylmethylamino)-3-oxo-2-(propanoylamino)propyl]phenyl]methylamino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide is CCC(=O)NC(Cc1ccc(CNC(=O)C(NC(=O)c2ccnn2C)C2CCCCC2)cc1)C(=O)NCc1cn2ccccc2n1.
What is the InChIKey of N-[1-cyclohexyl-2-[[4-[3-(imidazo[1,2-a]pyridin-2-ylmethylamino)-3-oxo-2-(propanoylamino)propyl]phenyl]methylamino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is NSYQWSPLVDBCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42N8O4/c1-3-30(43)39-27(32(44)36-21-26-22-42-18-8-7-11-29(42)38-26)19-23-12-14-24(15-13-23)20-35-34(46)31(25-9-5-4-6-10-25)40-33(45)28-16-17-37-41(28)2/h7-8,11-18,22,25,27,31H,3-6,9-10,19-21H2,1-2H3,(H,35,46)(H,36,44)(H,39,43)(H,40,45).
What are the key properties of N-[1-cyclohexyl-2-[[4-[3-(imidazo[1,2-a]pyridin-2-ylmethylamino)-3-oxo-2-(propanoylamino)propyl]phenyl]methylamino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
N-[1-cyclohexyl-2-[[4-[3-(imidazo[1,2-a]pyridin-2-ylmethylamino)-3-oxo-2-(propanoylamino)propyl]phenyl]methylamino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 626.76 g/mol, XLogP of 2.82, 13 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclohexyl-2-[[4-[3-(imidazo[1,2-a]pyridin-2-ylmethylamino)-3-oxo-2-(propanoylamino)propyl]phenyl]methylamino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 155055893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).