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

C28H32N6O3 — CID 71222945

IUPAC4-[8-amino-3-(4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(4-propyl-2-pyridinyl)benzamide
SMILESCCCc1ccnc(NC(=O)c2ccc(-c3nc(C4CCC(O)CC4)n4ccnc(N)c34)cc2OC)c1
InChIInChI=1S/C28H32N6O3/c1-3-4-17-11-12-30-23(15-17)32-28(36)21-10-7-19(16-22(21)37-2)24-25-26(29)31-13-14-34(25)27(33-24)18-5-8-20(35)9-6-18/h7,10-16,18,20,35H,3-6,8-9H2,1-2H3,(H2,29,31)(H,30,32,36)
InChIKeyAOVHAFXKCAKXJQ-UHFFFAOYSA-N
MW500.60 g/mol
LogP4.61
Rot. Bonds7

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

4-[8-amino-3-(4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(4-propyl-2-pyridinyl)benzamide (PubChem CID 71222945) has the molecular formula C28H32N6O3 and a molecular weight of 500.60 g/mol. Its IUPAC name is 4-[8-amino-3-(4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(4-propyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name4-[8-amino-3-(4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(4-propyl-2-pyridinyl)benzamide
PubChem CID71222945
Molecular FormulaC28H32N6O3
Molecular Weight500.60 g/mol
Exact Mass500.25
IUPAC Name4-[8-amino-3-(4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(4-propyl-2-pyridinyl)benzamide
SMILESCCCc1ccnc(NC(=O)c2ccc(-c3nc(C4CCC(O)CC4)n4ccnc(N)c34)cc2OC)c1
InChIInChI=1S/C28H32N6O3/c1-3-4-17-11-12-30-23(15-17)32-28(36)21-10-7-19(16-22(21)37-2)24-25-26(29)31-13-14-34(25)27(33-24)18-5-8-20(35)9-6-18/h7,10-16,18,20,35H,3-6,8-9H2,1-2H3,(H2,29,31)(H,30,32,36)
InChIKeyAOVHAFXKCAKXJQ-UHFFFAOYSA-N
XLogP4.61
TPSA127.66 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.60
LogP ≤ 54.61
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-(4-propyl-2-pyridinyl)benzamide?
The IUPAC name of 4-[8-amino-3-(4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(4-propyl-2-pyridinyl)benzamide (CID 71222945) is 4-[8-amino-3-(4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(4-propyl-2-pyridinyl)benzamide.
What is the SMILES notation for 4-[8-amino-3-(4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(4-propyl-2-pyridinyl)benzamide?
The canonical SMILES for 4-[8-amino-3-(4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(4-propyl-2-pyridinyl)benzamide is CCCc1ccnc(NC(=O)c2ccc(-c3nc(C4CCC(O)CC4)n4ccnc(N)c34)cc2OC)c1.
What is the InChIKey of 4-[8-amino-3-(4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(4-propyl-2-pyridinyl)benzamide?
The InChIKey is AOVHAFXKCAKXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O3/c1-3-4-17-11-12-30-23(15-17)32-28(36)21-10-7-19(16-22(21)37-2)24-25-26(29)31-13-14-34(25)27(33-24)18-5-8-20(35)9-6-18/h7,10-16,18,20,35H,3-6,8-9H2,1-2H3,(H2,29,31)(H,30,32,36).
What are the key properties of 4-[8-amino-3-(4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(4-propyl-2-pyridinyl)benzamide?
4-[8-amino-3-(4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(4-propyl-2-pyridinyl)benzamide has a molecular weight of 500.60 g/mol, XLogP of 4.61, 7 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-(4-propyl-2-pyridinyl)benzamide is sourced from PubChem (CID 71222945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).