4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide

C26H27N5O2 — CID 11385175

IUPAC4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(c2nc(-c3cccc(OCc4ccccc4)c3)c3c(N)nccn23)CC1
InChIInChI=1S/C26H27N5O2/c27-24-23-22(20-7-4-8-21(15-20)33-16-17-5-2-1-3-6-17)30-26(31(23)14-13-29-24)19-11-9-18(10-12-19)25(28)32/h1-8,13-15,18-19H,9-12,16H2,(H2,27,29)(H2,28,32)
InChIKeyUVIQXTHQSWQJHO-UHFFFAOYSA-N
MW441.54 g/mol
LogP4.32
Rot. Bonds6

About 4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide

4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide (PubChem CID 11385175) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is 4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide
PubChem CID11385175
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC Name4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(c2nc(-c3cccc(OCc4ccccc4)c3)c3c(N)nccn23)CC1
InChIInChI=1S/C26H27N5O2/c27-24-23-22(20-7-4-8-21(15-20)33-16-17-5-2-1-3-6-17)30-26(31(23)14-13-29-24)19-11-9-18(10-12-19)25(28)32/h1-8,13-15,18-19H,9-12,16H2,(H2,27,29)(H2,28,32)
InChIKeyUVIQXTHQSWQJHO-UHFFFAOYSA-N
XLogP4.32
TPSA108.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-Methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 146659124
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-3-cyclopropyloxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 90283326
Cis-3-[8-Amino-1-(4-Phenoxyphenyl)imidazo[1,5-A]pyrazin-3-Yl]cyclobutanol
CID 44539087
4-(6-azanyl-2-pyridin-4-yl-purin-9-yl)-~{N}-(3-methoxyphenyl)cyclohexane-1-carboxamide
CID 134214787
8-Oxa-14,21,23,28-tetraazapentacyclo[23.3.1.02,7.014,22.015,20]nonacosa-1(28),2(7),3,5,15,17,19,21,25(29),26-decaen-24-one
CID 139593670
3-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine
CID 25183355
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]-5-fluoroimidazo[1,5-a]pyrazin-1-yl]-3-ethoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 76902757
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-3-ethoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 77106864
US10087188, Example 172
CID 121455794
1-[4-[3-(4-Propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]ethanone
CID 134179255
7-Methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179283
5-Methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179296

Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide (CID 11385175) is 4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide is NC(=O)C1CCC(c2nc(-c3cccc(OCc4ccccc4)c3)c3c(N)nccn23)CC1.
What is the InChIKey of 4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide?
The InChIKey is UVIQXTHQSWQJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c27-24-23-22(20-7-4-8-21(15-20)33-16-17-5-2-1-3-6-17)30-26(31(23)14-13-29-24)19-11-9-18(10-12-19)25(28)32/h1-8,13-15,18-19H,9-12,16H2,(H2,27,29)(H2,28,32).
What are the key properties of 4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide?
4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide has a molecular weight of 441.54 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 11385175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).