pentan-2-yl N-[4-[3-(azetidin-1-yl)-8-methylimidazo[1,5-a]pyrazin-1-yl]-2-methoxyphenyl]carbamate

C23H29N5O3 — CID 67364139

IUPACpentan-2-yl N-[4-[3-(azetidin-1-yl)-8-methylimidazo[1,5-a]pyrazin-1-yl]-2-methoxyphenyl]carbamate
SMILESCCCC(C)OC(=O)Nc1ccc(-c2nc(N3CCC3)n3ccnc(C)c23)cc1OC
InChIInChI=1S/C23H29N5O3/c1-5-7-15(2)31-23(29)25-18-9-8-17(14-19(18)30-4)20-21-16(3)24-10-13-28(21)22(26-20)27-11-6-12-27/h8-10,13-15H,5-7,11-12H2,1-4H3,(H,25,29)
InChIKeyHRRNRMSUXVDESH-UHFFFAOYSA-N
MW423.52 g/mol
LogP4.66
Rot. Bonds7

About pentan-2-yl N-[4-[3-(azetidin-1-yl)-8-methylimidazo[1,5-a]pyrazin-1-yl]-2-methoxyphenyl]carbamate

pentan-2-yl N-[4-[3-(azetidin-1-yl)-8-methylimidazo[1,5-a]pyrazin-1-yl]-2-methoxyphenyl]carbamate (PubChem CID 67364139) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is pentan-2-yl N-[4-[3-(azetidin-1-yl)-8-methylimidazo[1,5-a]pyrazin-1-yl]-2-methoxyphenyl]carbamate.

Molecular Properties

Compound Namepentan-2-yl N-[4-[3-(azetidin-1-yl)-8-methylimidazo[1,5-a]pyrazin-1-yl]-2-methoxyphenyl]carbamate
PubChem CID67364139
Molecular FormulaC23H29N5O3
Molecular Weight423.52 g/mol
Exact Mass423.23
IUPAC Namepentan-2-yl N-[4-[3-(azetidin-1-yl)-8-methylimidazo[1,5-a]pyrazin-1-yl]-2-methoxyphenyl]carbamate
SMILESCCCC(C)OC(=O)Nc1ccc(-c2nc(N3CCC3)n3ccnc(C)c23)cc1OC
InChIInChI=1S/C23H29N5O3/c1-5-7-15(2)31-23(29)25-18-9-8-17(14-19(18)30-4)20-21-16(3)24-10-13-28(21)22(26-20)27-11-6-12-27/h8-10,13-15H,5-7,11-12H2,1-4H3,(H,25,29)
InChIKeyHRRNRMSUXVDESH-UHFFFAOYSA-N
XLogP4.66
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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] 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-[2-methoxy-4-[8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]phenyl]acetate
CID 160789177
[(2S)-pentan-2-yl] 2-[4-[3-[4-(acetamidomethyl)cyclohexyl]-8-methylimidazo[1,5-a]pyrazin-1-yl]-2-methoxyphenyl]acetate
CID 147684838
3-[2-methoxy-4-(8-methyl-3-morpholin-4-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]-1-methylindole-2-carboxamide
CID 172678560
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
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
methoxy-[4-(8-methyl-3-morpholin-4-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]carbamic acid
CID 135374226
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
[(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
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
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

Frequently Asked Questions

What is the IUPAC name of pentan-2-yl N-[4-[3-(azetidin-1-yl)-8-methylimidazo[1,5-a]pyrazin-1-yl]-2-methoxyphenyl]carbamate?
The IUPAC name of pentan-2-yl N-[4-[3-(azetidin-1-yl)-8-methylimidazo[1,5-a]pyrazin-1-yl]-2-methoxyphenyl]carbamate (CID 67364139) is pentan-2-yl N-[4-[3-(azetidin-1-yl)-8-methylimidazo[1,5-a]pyrazin-1-yl]-2-methoxyphenyl]carbamate.
What is the SMILES notation for pentan-2-yl N-[4-[3-(azetidin-1-yl)-8-methylimidazo[1,5-a]pyrazin-1-yl]-2-methoxyphenyl]carbamate?
The canonical SMILES for pentan-2-yl N-[4-[3-(azetidin-1-yl)-8-methylimidazo[1,5-a]pyrazin-1-yl]-2-methoxyphenyl]carbamate is CCCC(C)OC(=O)Nc1ccc(-c2nc(N3CCC3)n3ccnc(C)c23)cc1OC.
What is the InChIKey of pentan-2-yl N-[4-[3-(azetidin-1-yl)-8-methylimidazo[1,5-a]pyrazin-1-yl]-2-methoxyphenyl]carbamate?
The InChIKey is HRRNRMSUXVDESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3/c1-5-7-15(2)31-23(29)25-18-9-8-17(14-19(18)30-4)20-21-16(3)24-10-13-28(21)22(26-20)27-11-6-12-27/h8-10,13-15H,5-7,11-12H2,1-4H3,(H,25,29).
What are the key properties of pentan-2-yl N-[4-[3-(azetidin-1-yl)-8-methylimidazo[1,5-a]pyrazin-1-yl]-2-methoxyphenyl]carbamate?
pentan-2-yl N-[4-[3-(azetidin-1-yl)-8-methylimidazo[1,5-a]pyrazin-1-yl]-2-methoxyphenyl]carbamate has a molecular weight of 423.52 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for pentan-2-yl N-[4-[3-(azetidin-1-yl)-8-methylimidazo[1,5-a]pyrazin-1-yl]-2-methoxyphenyl]carbamate is sourced from PubChem (CID 67364139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).