cyclohexyl N-[(1S,3S)-3-[1-[3-methoxy-4-[(4-methoxy-1-methylindole-2-carbonyl)amino]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]cyclopentyl]carbamate

C37H42N6O5 — CID 123604602

IUPACcyclohexyl N-[(1S,3S)-3-[1-[3-methoxy-4-[(4-methoxy-1-methylindole-2-carbonyl)amino]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]cyclopentyl]carbamate
SMILESCOc1cc(-c2nc([C@H]3CC[C@H](NC(=O)OC4CCCCC4)C3)n3ccnc(C)c23)ccc1NC(=O)c1cc2c(OC)cccc2n1C
InChIInChI=1S/C37H42N6O5/c1-22-34-33(41-35(43(34)18-17-38-22)24-13-15-25(19-24)39-37(45)48-26-9-6-5-7-10-26)23-14-16-28(32(20-23)47-4)40-36(44)30-21-27-29(42(30)2)11-8-12-31(27)46-3/h8,11-12,14,16-18,20-21,24-26H,5-7,9-10,13,15,19H2,1-4H3,(H,39,45)(H,40,44)/t24-,25-/m0/s1
InChIKeyLSEVCJCJNWGROQ-DQEYMECFSA-N
MW650.78 g/mol
LogP7.16
Rot. Bonds8

About cyclohexyl N-[(1S,3S)-3-[1-[3-methoxy-4-[(4-methoxy-1-methylindole-2-carbonyl)amino]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]cyclopentyl]carbamate

cyclohexyl N-[(1S,3S)-3-[1-[3-methoxy-4-[(4-methoxy-1-methylindole-2-carbonyl)amino]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]cyclopentyl]carbamate (PubChem CID 123604602) has the molecular formula C37H42N6O5 and a molecular weight of 650.78 g/mol. Its IUPAC name is cyclohexyl N-[(1S,3S)-3-[1-[3-methoxy-4-[(4-methoxy-1-methylindole-2-carbonyl)amino]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]cyclopentyl]carbamate.

Molecular Properties

Compound Namecyclohexyl N-[(1S,3S)-3-[1-[3-methoxy-4-[(4-methoxy-1-methylindole-2-carbonyl)amino]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]cyclopentyl]carbamate
PubChem CID123604602
Molecular FormulaC37H42N6O5
Molecular Weight650.78 g/mol
Exact Mass650.32
IUPAC Namecyclohexyl N-[(1S,3S)-3-[1-[3-methoxy-4-[(4-methoxy-1-methylindole-2-carbonyl)amino]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]cyclopentyl]carbamate
SMILESCOc1cc(-c2nc([C@H]3CC[C@H](NC(=O)OC4CCCCC4)C3)n3ccnc(C)c23)ccc1NC(=O)c1cc2c(OC)cccc2n1C
InChIInChI=1S/C37H42N6O5/c1-22-34-33(41-35(43(34)18-17-38-22)24-13-15-25(19-24)39-37(45)48-26-9-6-5-7-10-26)23-14-16-28(32(20-23)47-4)40-36(44)30-21-27-29(42(30)2)11-8-12-31(27)46-3/h8,11-12,14,16-18,20-21,24-26H,5-7,9-10,13,15,19H2,1-4H3,(H,39,45)(H,40,44)/t24-,25-/m0/s1
InChIKeyLSEVCJCJNWGROQ-DQEYMECFSA-N
XLogP7.16
TPSA121.01 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.78
LogP ≤ 57.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

4-methoxy-N-[2-methoxy-4-[3-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]-8-methylimidazo[1,5-a]pyrazin-1-yl]phenyl]-1-methylindole-2-carboxamide
CID 53345738
N-[4-[3-[4-(3,3-difluoroazetidin-1-yl)cyclohexyl]-8-methylimidazo[1,5-a]pyrazin-1-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide
CID 53345843
2-[4-[3-[4-(3,3-difluoroazetidin-1-yl)cyclohexyl]-8-methylimidazo[1,5-a]pyrazin-1-yl]-2-methoxyphenyl]-1-(4-methoxy-1-methylindol-2-yl)ethanone
CID 149356372
1-(4-methoxy-1-methylindol-2-yl)-2-[2-methoxy-4-[8-methyl-3-[(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]ethanone
CID 160751809
N-[4-[(2R,5R,13E)-18-amino-7-oxo-10-oxa-6,17,21,22-tetrazatetracyclo[13.6.1.12,5.019,22]tricosa-1(21),13,15,17,19-pentaen-20-yl]-2-methoxyphenyl]-4-methoxy-1-methylindole-2-carboxamide
CID 168934550
6-methoxy-N-[2-methoxy-4-[8-methyl-3-[4-(4-methylpiperazin-1-yl)cyclohexyl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-1H-indazole-3-carboxamide
CID 53346066
2-[4-[3-(4-acetylpiperazin-1-yl)-8-methylimidazo[1,5-a]pyrazin-1-yl]-2-methoxyphenyl]-1-(4-methoxy-1-methylindol-2-yl)ethanone
CID 146856085
2-[2-methoxy-4-[8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]phenyl]-1-(1-methylindol-2-yl)ethanone
CID 158272848
[(2S)-pentan-2-yl] N-[2-methoxy-4-[3-[(3S)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-8-methylimidazo[1,5-a]pyrazin-1-yl]phenyl]carbamate
CID 53345315
[(2S)-pentan-2-yl] N-[2-methoxy-4-[8-methyl-3-(4-morpholin-4-ylcyclohexyl)imidazo[1,5-a]pyrazin-1-yl]phenyl]carbamate
CID 53345533
[(2S)-pentan-2-yl] 2-[4-[3-[4-(acetamidomethyl)cyclohexyl]-8-methylimidazo[1,5-a]pyrazin-1-yl]-2-methoxyphenyl]acetate
CID 147684838
pentan-2-yl N-[4-[3-(azetidin-1-yl)-8-methylimidazo[1,5-a]pyrazin-1-yl]-2-methoxyphenyl]carbamate
CID 67364139

Frequently Asked Questions

What is the IUPAC name of cyclohexyl N-[(1S,3S)-3-[1-[3-methoxy-4-[(4-methoxy-1-methylindole-2-carbonyl)amino]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]cyclopentyl]carbamate?
The IUPAC name of cyclohexyl N-[(1S,3S)-3-[1-[3-methoxy-4-[(4-methoxy-1-methylindole-2-carbonyl)amino]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]cyclopentyl]carbamate (CID 123604602) is cyclohexyl N-[(1S,3S)-3-[1-[3-methoxy-4-[(4-methoxy-1-methylindole-2-carbonyl)amino]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]cyclopentyl]carbamate.
What is the SMILES notation for cyclohexyl N-[(1S,3S)-3-[1-[3-methoxy-4-[(4-methoxy-1-methylindole-2-carbonyl)amino]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]cyclopentyl]carbamate?
The canonical SMILES for cyclohexyl N-[(1S,3S)-3-[1-[3-methoxy-4-[(4-methoxy-1-methylindole-2-carbonyl)amino]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]cyclopentyl]carbamate is COc1cc(-c2nc([C@H]3CC[C@H](NC(=O)OC4CCCCC4)C3)n3ccnc(C)c23)ccc1NC(=O)c1cc2c(OC)cccc2n1C.
What is the InChIKey of cyclohexyl N-[(1S,3S)-3-[1-[3-methoxy-4-[(4-methoxy-1-methylindole-2-carbonyl)amino]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]cyclopentyl]carbamate?
The InChIKey is LSEVCJCJNWGROQ-DQEYMECFSA-N. The full InChI is InChI=1S/C37H42N6O5/c1-22-34-33(41-35(43(34)18-17-38-22)24-13-15-25(19-24)39-37(45)48-26-9-6-5-7-10-26)23-14-16-28(32(20-23)47-4)40-36(44)30-21-27-29(42(30)2)11-8-12-31(27)46-3/h8,11-12,14,16-18,20-21,24-26H,5-7,9-10,13,15,19H2,1-4H3,(H,39,45)(H,40,44)/t24-,25-/m0/s1.
What are the key properties of cyclohexyl N-[(1S,3S)-3-[1-[3-methoxy-4-[(4-methoxy-1-methylindole-2-carbonyl)amino]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]cyclopentyl]carbamate?
cyclohexyl N-[(1S,3S)-3-[1-[3-methoxy-4-[(4-methoxy-1-methylindole-2-carbonyl)amino]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]cyclopentyl]carbamate has a molecular weight of 650.78 g/mol, XLogP of 7.16, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl N-[(1S,3S)-3-[1-[3-methoxy-4-[(4-methoxy-1-methylindole-2-carbonyl)amino]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]cyclopentyl]carbamate is sourced from PubChem (CID 123604602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).