4-[8-amino-3-[(1R)-3-aminocyclohexyl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)-3-fluorobenzamide

C27H28FN7O — CID 145114206

IUPAC4-[8-amino-3-[(1R)-3-aminocyclohexyl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)-3-fluorobenzamide
SMILESNc1nccn2c([C@@H]3CCCC(N)C3)nc(-c3ccc(C(=O)Nc4cc(C5CC5)ccn4)cc3F)c12
InChIInChI=1S/C27H28FN7O/c28-21-13-18(27(36)33-22-14-16(8-9-31-22)15-4-5-15)6-7-20(21)23-24-25(30)32-10-11-35(24)26(34-23)17-2-1-3-19(29)12-17/h6-11,13-15,17,19H,1-5,12,29H2,(H2,30,32)(H,31,33,36)/t17-,19?/m1/s1
InChIKeyDFJROIGNHPRZHD-DUSLRRAJSA-N
MW485.57 g/mol
LogP4.63
Rot. Bonds5

About 4-[8-amino-3-[(1R)-3-aminocyclohexyl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)-3-fluorobenzamide

4-[8-amino-3-[(1R)-3-aminocyclohexyl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)-3-fluorobenzamide (PubChem CID 145114206) has the molecular formula C27H28FN7O and a molecular weight of 485.57 g/mol. Its IUPAC name is 4-[8-amino-3-[(1R)-3-aminocyclohexyl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)-3-fluorobenzamide.

Molecular Properties

Compound Name4-[8-amino-3-[(1R)-3-aminocyclohexyl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)-3-fluorobenzamide
PubChem CID145114206
Molecular FormulaC27H28FN7O
Molecular Weight485.57 g/mol
Exact Mass485.23
IUPAC Name4-[8-amino-3-[(1R)-3-aminocyclohexyl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)-3-fluorobenzamide
SMILESNc1nccn2c([C@@H]3CCCC(N)C3)nc(-c3ccc(C(=O)Nc4cc(C5CC5)ccn4)cc3F)c12
InChIInChI=1S/C27H28FN7O/c28-21-13-18(27(36)33-22-14-16(8-9-31-22)15-4-5-15)6-7-20(21)23-24-25(30)32-10-11-35(24)26(34-23)17-2-1-3-19(29)12-17/h6-11,13-15,17,19H,1-5,12,29H2,(H2,30,32)(H,31,33,36)/t17-,19?/m1/s1
InChIKeyDFJROIGNHPRZHD-DUSLRRAJSA-N
XLogP4.63
TPSA124.22 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.57
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-[8-amino-3-[(3R)-1-(3-methyloxetane-3-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)-3-fluorobenzamide
CID 162672852
cis-(1S,3R)-3-[8-amino-1-[4-[(4-cyclopropyl-2-pyridinyl)carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid
CID 121455891
4-[8-amino-3-[(1R,3R)-3-aminocyclohexyl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 71223028
5-[8-amino-1-[4-[(4-cyclopropyl-2-pyridinyl)carbamoyl]-2-fluorophenyl]imidazo[1,5-a]pyrazin-3-yl]-2,4,7-trimethyltricyclo[3.1.1.03,6]heptane-2-carboxylic acid
CID 121466824
4-[8-amino-3-(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclobutyl-2-pyridinyl)benzamide
CID 123393192
1-[(3R)-3-[8-amino-1-[2-fluoro-4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]cyclopropane-1-carboxylic acid
CID 121455691
4-[3-[(1R,6R,8aS)-1-methyl-3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)-3-methoxybenzamide
CID 77106460
4-[3-[(1R)-1-(1-adamantyl)-1-formylpiperidin-1-ium-3-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)benzamide
CID 89387349
4-[8-amino-3-[(3R)-1-(3,3-difluorocyclobutanecarbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)benzamide
CID 71223110
4-[8-amino-3-[6-methyl-1-(piperidine-1-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)benzamide
CID 71222666
4-[8-amino-3-[(3R)-1-[2-(3,4-dimethylanilino)-2-oxoacetyl]piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)benzamide
CID 71223102
3-[8-amino-1-[4-[(4-cyclopropyl-2-pyridinyl)carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-N-(1-tetracyclo[4.3.1.02,4.03,8]decanyl)piperidine-1-carboxamide
CID 123473658

Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-3-[(1R)-3-aminocyclohexyl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)-3-fluorobenzamide?
The IUPAC name of 4-[8-amino-3-[(1R)-3-aminocyclohexyl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)-3-fluorobenzamide (CID 145114206) is 4-[8-amino-3-[(1R)-3-aminocyclohexyl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)-3-fluorobenzamide.
What is the SMILES notation for 4-[8-amino-3-[(1R)-3-aminocyclohexyl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)-3-fluorobenzamide?
The canonical SMILES for 4-[8-amino-3-[(1R)-3-aminocyclohexyl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)-3-fluorobenzamide is Nc1nccn2c([C@@H]3CCCC(N)C3)nc(-c3ccc(C(=O)Nc4cc(C5CC5)ccn4)cc3F)c12.
What is the InChIKey of 4-[8-amino-3-[(1R)-3-aminocyclohexyl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)-3-fluorobenzamide?
The InChIKey is DFJROIGNHPRZHD-DUSLRRAJSA-N. The full InChI is InChI=1S/C27H28FN7O/c28-21-13-18(27(36)33-22-14-16(8-9-31-22)15-4-5-15)6-7-20(21)23-24-25(30)32-10-11-35(24)26(34-23)17-2-1-3-19(29)12-17/h6-11,13-15,17,19H,1-5,12,29H2,(H2,30,32)(H,31,33,36)/t17-,19?/m1/s1.
What are the key properties of 4-[8-amino-3-[(1R)-3-aminocyclohexyl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)-3-fluorobenzamide?
4-[8-amino-3-[(1R)-3-aminocyclohexyl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)-3-fluorobenzamide has a molecular weight of 485.57 g/mol, XLogP of 4.63, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-amino-3-[(1R)-3-aminocyclohexyl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)-3-fluorobenzamide is sourced from PubChem (CID 145114206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).