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

C37H40N8O2 — CID 123473658

IUPAC3-[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
SMILESNc1nccn2c(C3CCCN(C(=O)NC45CC6CC(C4)C4C(C6)C45)C3)nc(-c3ccc(C(=O)Nc4cc(C5CC5)ccn4)cc3)c12
InChIInChI=1S/C37H40N8O2/c38-33-32-31(22-5-7-23(8-6-22)35(46)41-28-16-24(9-10-39-28)21-3-4-21)42-34(45(32)13-11-40-33)25-2-1-12-44(19-25)36(47)43-37-17-20-14-26(18-37)29-27(15-20)30(29)37/h5-11,13,16,20-21,25-27,29-30H,1-4,12,14-15,17-19H2,(H2,38,40)(H,43,47)(H,39,41,46)
InChIKeyKJJRBRQSFGPFMO-UHFFFAOYSA-N
MW628.78 g/mol
LogP5.83
Rot. Bonds6

About 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

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 (PubChem CID 123473658) has the molecular formula C37H40N8O2 and a molecular weight of 628.78 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID123473658
Molecular FormulaC37H40N8O2
Molecular Weight628.78 g/mol
Exact Mass628.33
IUPAC Name3-[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
SMILESNc1nccn2c(C3CCCN(C(=O)NC45CC6CC(C4)C4C(C6)C45)C3)nc(-c3ccc(C(=O)Nc4cc(C5CC5)ccn4)cc3)c12
InChIInChI=1S/C37H40N8O2/c38-33-32-31(22-5-7-23(8-6-22)35(46)41-28-16-24(9-10-39-28)21-3-4-21)42-34(45(32)13-11-40-33)25-2-1-12-44(19-25)36(47)43-37-17-20-14-26(18-37)29-27(15-20)30(29)37/h5-11,13,16,20-21,25-27,29-30H,1-4,12,14-15,17-19H2,(H2,38,40)(H,43,47)(H,39,41,46)
InChIKeyKJJRBRQSFGPFMO-UHFFFAOYSA-N
XLogP5.83
TPSA130.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.78
LogP ≤ 55.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
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-[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
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-(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
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-[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
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-(1-hydroxycyclobutanecarbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 71222796
4-[8-amino-3-(1-propanoylpiperidin-3-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-cyclopropyl-1-methylpyrazol-3-yl)benzamide
CID 138601029
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Nc1nccn2c(C3CCCN(C(=O)NC45CC6CC(C4)C4C(C6)C45)C3)nc(-c3ccc(C(=O)Nc4cc(C5CC5)ccn4)cc3)c12.
What is the InChIKey of 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?
The InChIKey is KJJRBRQSFGPFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H40N8O2/c38-33-32-31(22-5-7-23(8-6-22)35(46)41-28-16-24(9-10-39-28)21-3-4-21)42-34(45(32)13-11-40-33)25-2-1-12-44(19-25)36(47)43-37-17-20-14-26(18-37)29-27(15-20)30(29)37/h5-11,13,16,20-21,25-27,29-30H,1-4,12,14-15,17-19H2,(H2,38,40)(H,43,47)(H,39,41,46).
What are the key properties of 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?
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 has a molecular weight of 628.78 g/mol, XLogP of 5.83, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 123473658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).