[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol

C21H23N5O — CID 24862840

IUPAC[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol
SMILESNc1nccn2c(C3CCC(CO)CC3)nc(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/C21H23N5O/c22-20-19-18(17-11-15-3-1-2-4-16(15)24-17)25-21(26(19)10-9-23-20)14-7-5-13(12-27)6-8-14/h1-4,9-11,13-14,24,27H,5-8,12H2,(H2,22,23)
InChIKeySWLHPLRGXVTIIY-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.73
Rot. Bonds3

About [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol

[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol (PubChem CID 24862840) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol
PubChem CID24862840
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol
SMILESNc1nccn2c(C3CCC(CO)CC3)nc(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/C21H23N5O/c22-20-19-18(17-11-15-3-1-2-4-16(15)24-17)25-21(26(19)10-9-23-20)14-7-5-13(12-27)6-8-14/h1-4,9-11,13-14,24,27H,5-8,12H2,(H2,22,23)
InChIKeySWLHPLRGXVTIIY-UHFFFAOYSA-N
XLogP3.73
TPSA92.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol?
The IUPAC name of [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol (CID 24862840) is [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol.
What is the SMILES notation for [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol?
The canonical SMILES for [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol is Nc1nccn2c(C3CCC(CO)CC3)nc(-c3cc4ccccc4[nH]3)c12.
What is the InChIKey of [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol?
The InChIKey is SWLHPLRGXVTIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c22-20-19-18(17-11-15-3-1-2-4-16(15)24-17)25-21(26(19)10-9-23-20)14-7-5-13(12-27)6-8-14/h1-4,9-11,13-14,24,27H,5-8,12H2,(H2,22,23).
What are the key properties of [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol?
[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol has a molecular weight of 361.45 g/mol, XLogP of 3.73, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol is sourced from PubChem (CID 24862840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).