4-[8-amino-3-(4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-pyridin-2-ylbenzamide

C25H26N6O3 — CID 71222774

IUPAC4-[8-amino-3-(4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-pyridin-2-ylbenzamide
SMILESCOc1cc(-c2nc(C3CCC(O)CC3)n3ccnc(N)c23)ccc1C(=O)Nc1ccccn1
InChIInChI=1S/C25H26N6O3/c1-34-19-14-16(7-10-18(19)25(33)29-20-4-2-3-11-27-20)21-22-23(26)28-12-13-31(22)24(30-21)15-5-8-17(32)9-6-15/h2-4,7,10-15,17,32H,5-6,8-9H2,1H3,(H2,26,28)(H,27,29,33)
InChIKeyKZFQCCGYALYEKM-UHFFFAOYSA-N
MW458.52 g/mol
LogP3.65
Rot. Bonds5

About 4-[8-amino-3-(4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-pyridin-2-ylbenzamide

4-[8-amino-3-(4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-pyridin-2-ylbenzamide (PubChem CID 71222774) has the molecular formula C25H26N6O3 and a molecular weight of 458.52 g/mol. Its IUPAC name is 4-[8-amino-3-(4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name4-[8-amino-3-(4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-pyridin-2-ylbenzamide
PubChem CID71222774
Molecular FormulaC25H26N6O3
Molecular Weight458.52 g/mol
Exact Mass458.21
IUPAC Name4-[8-amino-3-(4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-pyridin-2-ylbenzamide
SMILESCOc1cc(-c2nc(C3CCC(O)CC3)n3ccnc(N)c23)ccc1C(=O)Nc1ccccn1
InChIInChI=1S/C25H26N6O3/c1-34-19-14-16(7-10-18(19)25(33)29-20-4-2-3-11-27-20)21-22-23(26)28-12-13-31(22)24(30-21)15-5-8-17(32)9-6-15/h2-4,7,10-15,17,32H,5-6,8-9H2,1H3,(H2,26,28)(H,27,29,33)
InChIKeyKZFQCCGYALYEKM-UHFFFAOYSA-N
XLogP3.65
TPSA127.66 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-3-(4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-pyridin-2-ylbenzamide?
The IUPAC name of 4-[8-amino-3-(4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-pyridin-2-ylbenzamide (CID 71222774) is 4-[8-amino-3-(4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 4-[8-amino-3-(4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-pyridin-2-ylbenzamide?
The canonical SMILES for 4-[8-amino-3-(4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-pyridin-2-ylbenzamide is COc1cc(-c2nc(C3CCC(O)CC3)n3ccnc(N)c23)ccc1C(=O)Nc1ccccn1.
What is the InChIKey of 4-[8-amino-3-(4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-pyridin-2-ylbenzamide?
The InChIKey is KZFQCCGYALYEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3/c1-34-19-14-16(7-10-18(19)25(33)29-20-4-2-3-11-27-20)21-22-23(26)28-12-13-31(22)24(30-21)15-5-8-17(32)9-6-15/h2-4,7,10-15,17,32H,5-6,8-9H2,1H3,(H2,26,28)(H,27,29,33).
What are the key properties of 4-[8-amino-3-(4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-pyridin-2-ylbenzamide?
4-[8-amino-3-(4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-pyridin-2-ylbenzamide has a molecular weight of 458.52 g/mol, XLogP of 3.65, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-amino-3-(4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 71222774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).