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

C31H31F2N7O2 — CID 71223110

IUPAC4-[8-amino-3-[(3R)-1-(3,3-difluorocyclobutanecarbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)benzamide
SMILESNc1nccn2c([C@@H]3CCCN(C(=O)C4CC(F)(F)C4)C3)nc(-c3ccc(C(=O)Nc4cc(C5CC5)ccn4)cc3)c12
InChIInChI=1S/C31H31F2N7O2/c32-31(33)15-23(16-31)30(42)39-12-1-2-22(17-39)28-38-25(26-27(34)36-11-13-40(26)28)19-5-7-20(8-6-19)29(41)37-24-14-21(9-10-35-24)18-3-4-18/h5-11,13-14,18,22-23H,1-4,12,15-17H2,(H2,34,36)(H,35,37,41)/t22-/m1/s1
InChIKeyHHSHOHMHVVLFHW-JOCHJYFZSA-N
MW571.63 g/mol
LogP5.25
Rot. Bonds6

About 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

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 (PubChem CID 71223110) has the molecular formula C31H31F2N7O2 and a molecular weight of 571.63 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[8-amino-3-[(3R)-1-(3,3-difluorocyclobutanecarbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)benzamide
PubChem CID71223110
Molecular FormulaC31H31F2N7O2
Molecular Weight571.63 g/mol
Exact Mass571.25
IUPAC Name4-[8-amino-3-[(3R)-1-(3,3-difluorocyclobutanecarbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)benzamide
SMILESNc1nccn2c([C@@H]3CCCN(C(=O)C4CC(F)(F)C4)C3)nc(-c3ccc(C(=O)Nc4cc(C5CC5)ccn4)cc3)c12
InChIInChI=1S/C31H31F2N7O2/c32-31(33)15-23(16-31)30(42)39-12-1-2-22(17-39)28-38-25(26-27(34)36-11-13-40(26)28)19-5-7-20(8-6-19)29(41)37-24-14-21(9-10-35-24)18-3-4-18/h5-11,13-14,18,22-23H,1-4,12,15-17H2,(H2,34,36)(H,35,37,41)/t22-/m1/s1
InChIKeyHHSHOHMHVVLFHW-JOCHJYFZSA-N
XLogP5.25
TPSA118.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.63
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-(2,2-difluorocyclopropanecarbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 71226565
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-[(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
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
2-[(3R)-3-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 121455742
4-[8-amino-3-[1-(1-hydroxycyclobutanecarbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 71222796
4-[8-amino-3-[(3R)-1-(1-hydroxycyclopropanecarbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-ethyl-2-pyridinyl)benzamide
CID 71227300
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-methyloxetane-3-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)-3-fluorobenzamide
CID 162672852
4-[8-amino-3-(1-methylpiperidin-3-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 144510170

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Nc1nccn2c([C@@H]3CCCN(C(=O)C4CC(F)(F)C4)C3)nc(-c3ccc(C(=O)Nc4cc(C5CC5)ccn4)cc3)c12.
What is the InChIKey of 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?
The InChIKey is HHSHOHMHVVLFHW-JOCHJYFZSA-N. The full InChI is InChI=1S/C31H31F2N7O2/c32-31(33)15-23(16-31)30(42)39-12-1-2-22(17-39)28-38-25(26-27(34)36-11-13-40(26)28)19-5-7-20(8-6-19)29(41)37-24-14-21(9-10-35-24)18-3-4-18/h5-11,13-14,18,22-23H,1-4,12,15-17H2,(H2,34,36)(H,35,37,41)/t22-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 571.63 g/mol, XLogP of 5.25, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 71223110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).