[(2S)-pentan-2-yl] N-[2-methoxy-4-[8-methyl-3-(4-morpholin-4-ylcyclohexyl)imidazo[1,5-a]pyrazin-1-yl]phenyl]carbamate

C30H41N5O4 — CID 53345533

IUPAC[(2S)-pentan-2-yl] N-[2-methoxy-4-[8-methyl-3-(4-morpholin-4-ylcyclohexyl)imidazo[1,5-a]pyrazin-1-yl]phenyl]carbamate
SMILESCCC[C@H](C)OC(=O)Nc1ccc(-c2nc(C3CCC(N4CCOCC4)CC3)n3ccnc(C)c23)cc1OC
InChIInChI=1S/C30H41N5O4/c1-5-6-20(2)39-30(36)32-25-12-9-23(19-26(25)37-4)27-28-21(3)31-13-14-35(28)29(33-27)22-7-10-24(11-8-22)34-15-17-38-18-16-34/h9,12-14,19-20,22,24H,5-8,10-11,15-18H2,1-4H3,(H,32,36)/t20-,22?,24?/m0/s1
InChIKeyTYDOANUCKPZBIX-INVBSJAUSA-N
MW535.69 g/mol
LogP5.81
Rot. Bonds8

About [(2S)-pentan-2-yl] N-[2-methoxy-4-[8-methyl-3-(4-morpholin-4-ylcyclohexyl)imidazo[1,5-a]pyrazin-1-yl]phenyl]carbamate

[(2S)-pentan-2-yl] N-[2-methoxy-4-[8-methyl-3-(4-morpholin-4-ylcyclohexyl)imidazo[1,5-a]pyrazin-1-yl]phenyl]carbamate (PubChem CID 53345533) has the molecular formula C30H41N5O4 and a molecular weight of 535.69 g/mol. Its IUPAC name is [(2S)-pentan-2-yl] N-[2-methoxy-4-[8-methyl-3-(4-morpholin-4-ylcyclohexyl)imidazo[1,5-a]pyrazin-1-yl]phenyl]carbamate.

Molecular Properties

Compound Name[(2S)-pentan-2-yl] N-[2-methoxy-4-[8-methyl-3-(4-morpholin-4-ylcyclohexyl)imidazo[1,5-a]pyrazin-1-yl]phenyl]carbamate
PubChem CID53345533
Molecular FormulaC30H41N5O4
Molecular Weight535.69 g/mol
Exact Mass535.32
IUPAC Name[(2S)-pentan-2-yl] N-[2-methoxy-4-[8-methyl-3-(4-morpholin-4-ylcyclohexyl)imidazo[1,5-a]pyrazin-1-yl]phenyl]carbamate
SMILESCCC[C@H](C)OC(=O)Nc1ccc(-c2nc(C3CCC(N4CCOCC4)CC3)n3ccnc(C)c23)cc1OC
InChIInChI=1S/C30H41N5O4/c1-5-6-20(2)39-30(36)32-25-12-9-23(19-26(25)37-4)27-28-21(3)31-13-14-35(28)29(33-27)22-7-10-24(11-8-22)34-15-17-38-18-16-34/h9,12-14,19-20,22,24H,5-8,10-11,15-18H2,1-4H3,(H,32,36)/t20-,22?,24?/m0/s1
InChIKeyTYDOANUCKPZBIX-INVBSJAUSA-N
XLogP5.81
TPSA90.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.69
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [(2S)-pentan-2-yl] N-[2-methoxy-4-[8-methyl-3-(4-morpholin-4-ylcyclohexyl)imidazo[1,5-a]pyrazin-1-yl]phenyl]carbamate with MolForge

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Related Compounds

[(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] 2-[2-methoxy-4-[8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]phenyl]acetate
CID 160789177
pentan-2-yl N-[4-[3-(azetidin-1-yl)-8-methylimidazo[1,5-a]pyrazin-1-yl]-2-methoxyphenyl]carbamate
CID 67364139
[(2S)-pentan-2-yl] 2-[4-[3-[4-(acetamidomethyl)cyclohexyl]-8-methylimidazo[1,5-a]pyrazin-1-yl]-2-methoxyphenyl]acetate
CID 147684838
methoxy-[4-[8-methyl-3-(4-morpholin-4-ylcyclohexyl)imidazo[1,5-a]pyrazin-1-yl]phenyl]carbamic acid
CID 135374227
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
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
[(2S)-pentan-2-yl] N-[2-methoxy-4-[4-methyl-1-(4-morpholin-4-ylpiperidin-1-yl)imidazo[1,5-a]pyrazin-4-ium-3-yl]phenyl]carbamate
CID 87372559
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
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
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
methoxy-[4-[8-methyl-3-[3-(4-methylpiperazin-1-yl)cyclopentyl]imidazo[1,5-a]pyrazin-1-yl]phenyl]carbamic acid
CID 135374344

Frequently Asked Questions

What is the IUPAC name of [(2S)-pentan-2-yl] N-[2-methoxy-4-[8-methyl-3-(4-morpholin-4-ylcyclohexyl)imidazo[1,5-a]pyrazin-1-yl]phenyl]carbamate?
The IUPAC name of [(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) is [(2S)-pentan-2-yl] N-[2-methoxy-4-[8-methyl-3-(4-morpholin-4-ylcyclohexyl)imidazo[1,5-a]pyrazin-1-yl]phenyl]carbamate.
What is the SMILES notation for [(2S)-pentan-2-yl] N-[2-methoxy-4-[8-methyl-3-(4-morpholin-4-ylcyclohexyl)imidazo[1,5-a]pyrazin-1-yl]phenyl]carbamate?
The canonical SMILES for [(2S)-pentan-2-yl] N-[2-methoxy-4-[8-methyl-3-(4-morpholin-4-ylcyclohexyl)imidazo[1,5-a]pyrazin-1-yl]phenyl]carbamate is CCC[C@H](C)OC(=O)Nc1ccc(-c2nc(C3CCC(N4CCOCC4)CC3)n3ccnc(C)c23)cc1OC.
What is the InChIKey of [(2S)-pentan-2-yl] N-[2-methoxy-4-[8-methyl-3-(4-morpholin-4-ylcyclohexyl)imidazo[1,5-a]pyrazin-1-yl]phenyl]carbamate?
The InChIKey is TYDOANUCKPZBIX-INVBSJAUSA-N. The full InChI is InChI=1S/C30H41N5O4/c1-5-6-20(2)39-30(36)32-25-12-9-23(19-26(25)37-4)27-28-21(3)31-13-14-35(28)29(33-27)22-7-10-24(11-8-22)34-15-17-38-18-16-34/h9,12-14,19-20,22,24H,5-8,10-11,15-18H2,1-4H3,(H,32,36)/t20-,22?,24?/m0/s1.
What are the key properties of [(2S)-pentan-2-yl] N-[2-methoxy-4-[8-methyl-3-(4-morpholin-4-ylcyclohexyl)imidazo[1,5-a]pyrazin-1-yl]phenyl]carbamate?
[(2S)-pentan-2-yl] N-[2-methoxy-4-[8-methyl-3-(4-morpholin-4-ylcyclohexyl)imidazo[1,5-a]pyrazin-1-yl]phenyl]carbamate has a molecular weight of 535.69 g/mol, XLogP of 5.81, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-pentan-2-yl] N-[2-methoxy-4-[8-methyl-3-(4-morpholin-4-ylcyclohexyl)imidazo[1,5-a]pyrazin-1-yl]phenyl]carbamate is sourced from PubChem (CID 53345533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).