4-[8-amino-3-(4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide

C26H29N7O2S — CID 71488630

IUPAC4-[8-amino-3-(4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
SMILESCN1CCc2nc(NC(=O)c3ccc(-c4nc(C5CCC(O)CC5)n5ccnc(N)c45)cc3)sc2C1
InChIInChI=1S/C26H29N7O2S/c1-32-12-10-19-20(14-32)36-26(29-19)31-25(35)17-4-2-15(3-5-17)21-22-23(27)28-11-13-33(22)24(30-21)16-6-8-18(34)9-7-16/h2-5,11,13,16,18,34H,6-10,12,14H2,1H3,(H2,27,28)(H,29,31,35)
InChIKeyNRIOQGSHECFOLI-UHFFFAOYSA-N
MW503.63 g/mol
LogP3.69
Rot. Bonds4

About 4-[8-amino-3-(4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide

4-[8-amino-3-(4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide (PubChem CID 71488630) has the molecular formula C26H29N7O2S and a molecular weight of 503.63 g/mol. Its IUPAC name is 4-[8-amino-3-(4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide.

Molecular Properties

Compound Name4-[8-amino-3-(4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
PubChem CID71488630
Molecular FormulaC26H29N7O2S
Molecular Weight503.63 g/mol
Exact Mass503.21
IUPAC Name4-[8-amino-3-(4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
SMILESCN1CCc2nc(NC(=O)c3ccc(-c4nc(C5CCC(O)CC5)n5ccnc(N)c45)cc3)sc2C1
InChIInChI=1S/C26H29N7O2S/c1-32-12-10-19-20(14-32)36-26(29-19)31-25(35)17-4-2-15(3-5-17)21-22-23(27)28-11-13-33(22)24(30-21)16-6-8-18(34)9-7-16/h2-5,11,13,16,18,34H,6-10,12,14H2,1H3,(H2,27,28)(H,29,31,35)
InChIKeyNRIOQGSHECFOLI-UHFFFAOYSA-N
XLogP3.69
TPSA121.67 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.63
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-[8-amino-3-(4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide with MolForge

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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]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide?
The IUPAC name of 4-[8-amino-3-(4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide (CID 71488630) is 4-[8-amino-3-(4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide.
What is the SMILES notation for 4-[8-amino-3-(4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide?
The canonical SMILES for 4-[8-amino-3-(4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide is CN1CCc2nc(NC(=O)c3ccc(-c4nc(C5CCC(O)CC5)n5ccnc(N)c45)cc3)sc2C1.
What is the InChIKey of 4-[8-amino-3-(4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide?
The InChIKey is NRIOQGSHECFOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O2S/c1-32-12-10-19-20(14-32)36-26(29-19)31-25(35)17-4-2-15(3-5-17)21-22-23(27)28-11-13-33(22)24(30-21)16-6-8-18(34)9-7-16/h2-5,11,13,16,18,34H,6-10,12,14H2,1H3,(H2,27,28)(H,29,31,35).
What are the key properties of 4-[8-amino-3-(4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide?
4-[8-amino-3-(4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide has a molecular weight of 503.63 g/mol, XLogP of 3.69, 4 rotatable bonds, 3 hydrogen bond donors, and 9 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]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide is sourced from PubChem (CID 71488630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).