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

C24H23ClN6O2 — CID 71223256

IUPAC4-[8-amino-3-(4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl]-2-chloro-N-pyridin-2-ylbenzamide
SMILESNc1nccn2c(C3CCC(O)CC3)nc(-c3ccc(C(=O)Nc4ccccn4)c(Cl)c3)c12
InChIInChI=1S/C24H23ClN6O2/c25-18-13-15(6-9-17(18)24(33)29-19-3-1-2-10-27-19)20-21-22(26)28-11-12-31(21)23(30-20)14-4-7-16(32)8-5-14/h1-3,6,9-14,16,32H,4-5,7-8H2,(H2,26,28)(H,27,29,33)
InChIKeyIDZSWDKISGYKMR-UHFFFAOYSA-N
MW462.94 g/mol
LogP4.30
Rot. Bonds4

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

4-[8-amino-3-(4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl]-2-chloro-N-pyridin-2-ylbenzamide (PubChem CID 71223256) has the molecular formula C24H23ClN6O2 and a molecular weight of 462.94 g/mol. Its IUPAC name is 4-[8-amino-3-(4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl]-2-chloro-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name4-[8-amino-3-(4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl]-2-chloro-N-pyridin-2-ylbenzamide
PubChem CID71223256
Molecular FormulaC24H23ClN6O2
Molecular Weight462.94 g/mol
Exact Mass462.16
IUPAC Name4-[8-amino-3-(4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl]-2-chloro-N-pyridin-2-ylbenzamide
SMILESNc1nccn2c(C3CCC(O)CC3)nc(-c3ccc(C(=O)Nc4ccccn4)c(Cl)c3)c12
InChIInChI=1S/C24H23ClN6O2/c25-18-13-15(6-9-17(18)24(33)29-19-3-1-2-10-27-19)20-21-22(26)28-11-12-31(21)23(30-20)14-4-7-16(32)8-5-14/h1-3,6,9-14,16,32H,4-5,7-8H2,(H2,26,28)(H,27,29,33)
InChIKeyIDZSWDKISGYKMR-UHFFFAOYSA-N
XLogP4.30
TPSA118.43 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.94
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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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-chloro-N-pyridin-2-ylbenzamide?
The IUPAC name of 4-[8-amino-3-(4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl]-2-chloro-N-pyridin-2-ylbenzamide (CID 71223256) is 4-[8-amino-3-(4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl]-2-chloro-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 4-[8-amino-3-(4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl]-2-chloro-N-pyridin-2-ylbenzamide?
The canonical SMILES for 4-[8-amino-3-(4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl]-2-chloro-N-pyridin-2-ylbenzamide is Nc1nccn2c(C3CCC(O)CC3)nc(-c3ccc(C(=O)Nc4ccccn4)c(Cl)c3)c12.
What is the InChIKey of 4-[8-amino-3-(4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl]-2-chloro-N-pyridin-2-ylbenzamide?
The InChIKey is IDZSWDKISGYKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN6O2/c25-18-13-15(6-9-17(18)24(33)29-19-3-1-2-10-27-19)20-21-22(26)28-11-12-31(21)23(30-20)14-4-7-16(32)8-5-14/h1-3,6,9-14,16,32H,4-5,7-8H2,(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-chloro-N-pyridin-2-ylbenzamide?
4-[8-amino-3-(4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl]-2-chloro-N-pyridin-2-ylbenzamide has a molecular weight of 462.94 g/mol, XLogP of 4.30, 4 rotatable bonds, 3 hydrogen bond donors, and 7 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-chloro-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 71223256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).