N-cyclohexyl-3-[4-(cyclopropylcarbamoyl)phenyl]-8-[methyl(oxan-4-yl)amino]imidazo[1,2-a]pyrazine-6-carboxamide

C29H36N6O3 — CID 66603500

IUPACN-cyclohexyl-3-[4-(cyclopropylcarbamoyl)phenyl]-8-[methyl(oxan-4-yl)amino]imidazo[1,2-a]pyrazine-6-carboxamide
SMILESCN(c1nc(C(=O)NC2CCCCC2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12)C1CCOCC1
InChIInChI=1S/C29H36N6O3/c1-34(23-13-15-38-16-14-23)27-26-30-17-25(19-7-9-20(10-8-19)28(36)31-22-11-12-22)35(26)18-24(33-27)29(37)32-21-5-3-2-4-6-21/h7-10,17-18,21-23H,2-6,11-16H2,1H3,(H,31,36)(H,32,37)
InChIKeyFJGAPCWVNSGITL-UHFFFAOYSA-N
MW516.65 g/mol
LogP3.97
Rot. Bonds7

About N-cyclohexyl-3-[4-(cyclopropylcarbamoyl)phenyl]-8-[methyl(oxan-4-yl)amino]imidazo[1,2-a]pyrazine-6-carboxamide

N-cyclohexyl-3-[4-(cyclopropylcarbamoyl)phenyl]-8-[methyl(oxan-4-yl)amino]imidazo[1,2-a]pyrazine-6-carboxamide (PubChem CID 66603500) has the molecular formula C29H36N6O3 and a molecular weight of 516.65 g/mol. Its IUPAC name is N-cyclohexyl-3-[4-(cyclopropylcarbamoyl)phenyl]-8-[methyl(oxan-4-yl)amino]imidazo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[4-(cyclopropylcarbamoyl)phenyl]-8-[methyl(oxan-4-yl)amino]imidazo[1,2-a]pyrazine-6-carboxamide
PubChem CID66603500
Molecular FormulaC29H36N6O3
Molecular Weight516.65 g/mol
Exact Mass516.28
IUPAC NameN-cyclohexyl-3-[4-(cyclopropylcarbamoyl)phenyl]-8-[methyl(oxan-4-yl)amino]imidazo[1,2-a]pyrazine-6-carboxamide
SMILESCN(c1nc(C(=O)NC2CCCCC2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12)C1CCOCC1
InChIInChI=1S/C29H36N6O3/c1-34(23-13-15-38-16-14-23)27-26-30-17-25(19-7-9-20(10-8-19)28(36)31-22-11-12-22)35(26)18-24(33-27)29(37)32-21-5-3-2-4-6-21/h7-10,17-18,21-23H,2-6,11-16H2,1H3,(H,31,36)(H,32,37)
InChIKeyFJGAPCWVNSGITL-UHFFFAOYSA-N
XLogP3.97
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.65
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[6-[cyclohexylmethyl(methyl)amino]-8-(oxan-4-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide
CID 66615244
4-(6-bromo-8-methylimidazo[1,2-a]pyrazin-3-yl)-N-cyclopropylbenzamide
CID 88537857
N-cyclopropyl-4-[6-[4-(dimethylamino)phenyl]-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 67976583
N-cyclopropyl-4-(6,8-dibromoimidazo[1,2-a]pyrazin-3-yl)benzamide
CID 86692018
4-[6-bromo-8-(cyclohexylmethylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide
CID 88544470
N-(4-cyanophenyl)-3-[4-(cyclopropylcarbamoyl)phenyl]-N-methylimidazo[1,2-a]pyrazine-6-carboxamide
CID 90157441
N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
CID 67973429
N-cyclopentyl-4-(8-methylsulfanylimidazo[1,2-a]pyrazin-3-yl)benzamide
CID 118273149
N-cyclopropyl-4-[8-(oxolan-2-ylmethylamino)-6-pyridin-4-ylimidazo[1,2-a]pyrazin-3-yl]benzamide
CID 90123620
N-cyclopropyl-4-[8-(2-methylpropylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
CID 53389614
4-[8-(2-aminopropylamino)-6-phenylimidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide
CID 67973384
N-cyclopropyl-4-[6-[4-(fluoromethyl)phenyl]-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 67976879

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[4-(cyclopropylcarbamoyl)phenyl]-8-[methyl(oxan-4-yl)amino]imidazo[1,2-a]pyrazine-6-carboxamide?
The IUPAC name of N-cyclohexyl-3-[4-(cyclopropylcarbamoyl)phenyl]-8-[methyl(oxan-4-yl)amino]imidazo[1,2-a]pyrazine-6-carboxamide (CID 66603500) is N-cyclohexyl-3-[4-(cyclopropylcarbamoyl)phenyl]-8-[methyl(oxan-4-yl)amino]imidazo[1,2-a]pyrazine-6-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-[4-(cyclopropylcarbamoyl)phenyl]-8-[methyl(oxan-4-yl)amino]imidazo[1,2-a]pyrazine-6-carboxamide?
The canonical SMILES for N-cyclohexyl-3-[4-(cyclopropylcarbamoyl)phenyl]-8-[methyl(oxan-4-yl)amino]imidazo[1,2-a]pyrazine-6-carboxamide is CN(c1nc(C(=O)NC2CCCCC2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12)C1CCOCC1.
What is the InChIKey of N-cyclohexyl-3-[4-(cyclopropylcarbamoyl)phenyl]-8-[methyl(oxan-4-yl)amino]imidazo[1,2-a]pyrazine-6-carboxamide?
The InChIKey is FJGAPCWVNSGITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N6O3/c1-34(23-13-15-38-16-14-23)27-26-30-17-25(19-7-9-20(10-8-19)28(36)31-22-11-12-22)35(26)18-24(33-27)29(37)32-21-5-3-2-4-6-21/h7-10,17-18,21-23H,2-6,11-16H2,1H3,(H,31,36)(H,32,37).
What are the key properties of N-cyclohexyl-3-[4-(cyclopropylcarbamoyl)phenyl]-8-[methyl(oxan-4-yl)amino]imidazo[1,2-a]pyrazine-6-carboxamide?
N-cyclohexyl-3-[4-(cyclopropylcarbamoyl)phenyl]-8-[methyl(oxan-4-yl)amino]imidazo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 516.65 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[4-(cyclopropylcarbamoyl)phenyl]-8-[methyl(oxan-4-yl)amino]imidazo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 66603500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).