(3R)-3-[8-amino-1-[4-[(4-cyclopropyl-2-pyridinyl)carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-N-(2-chlorophenyl)piperidine-1-carboxamide

C33H31ClN8O2 — CID 71222889

IUPAC(3R)-3-[8-amino-1-[4-[(4-cyclopropyl-2-pyridinyl)carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-N-(2-chlorophenyl)piperidine-1-carboxamide
SMILESNc1nccn2c([C@@H]3CCCN(C(=O)Nc4ccccc4Cl)C3)nc(-c3ccc(C(=O)Nc4cc(C5CC5)ccn4)cc3)c12
InChIInChI=1S/C33H31ClN8O2/c34-25-5-1-2-6-26(25)38-33(44)41-16-3-4-24(19-41)31-40-28(29-30(35)37-15-17-42(29)31)21-9-11-22(12-10-21)32(43)39-27-18-23(13-14-36-27)20-7-8-20/h1-2,5-6,9-15,17-18,20,24H,3-4,7-8,16,19H2,(H2,35,37)(H,38,44)(H,36,39,43)/t24-/m1/s1
InChIKeyRKCNLHDTMAERQH-XMMPIXPASA-N
MW607.12 g/mol
LogP6.57
Rot. Bonds6

About (3R)-3-[8-amino-1-[4-[(4-cyclopropyl-2-pyridinyl)carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-N-(2-chlorophenyl)piperidine-1-carboxamide

(3R)-3-[8-amino-1-[4-[(4-cyclopropyl-2-pyridinyl)carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-N-(2-chlorophenyl)piperidine-1-carboxamide (PubChem CID 71222889) has the molecular formula C33H31ClN8O2 and a molecular weight of 607.12 g/mol. Its IUPAC name is (3R)-3-[8-amino-1-[4-[(4-cyclopropyl-2-pyridinyl)carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-N-(2-chlorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-[8-amino-1-[4-[(4-cyclopropyl-2-pyridinyl)carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-N-(2-chlorophenyl)piperidine-1-carboxamide
PubChem CID71222889
Molecular FormulaC33H31ClN8O2
Molecular Weight607.12 g/mol
Exact Mass606.23
IUPAC Name(3R)-3-[8-amino-1-[4-[(4-cyclopropyl-2-pyridinyl)carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-N-(2-chlorophenyl)piperidine-1-carboxamide
SMILESNc1nccn2c([C@@H]3CCCN(C(=O)Nc4ccccc4Cl)C3)nc(-c3ccc(C(=O)Nc4cc(C5CC5)ccn4)cc3)c12
InChIInChI=1S/C33H31ClN8O2/c34-25-5-1-2-6-26(25)38-33(44)41-16-3-4-24(19-41)31-40-28(29-30(35)37-15-17-42(29)31)21-9-11-22(12-10-21)32(43)39-27-18-23(13-14-36-27)20-7-8-20/h1-2,5-6,9-15,17-18,20,24H,3-4,7-8,16,19H2,(H2,35,37)(H,38,44)(H,36,39,43)/t24-/m1/s1
InChIKeyRKCNLHDTMAERQH-XMMPIXPASA-N
XLogP6.57
TPSA130.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.12
LogP ≤ 56.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (3R)-3-[8-amino-1-[4-[(4-cyclopropyl-2-pyridinyl)carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-N-(2-chlorophenyl)piperidine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[8-amino-1-[4-[(4-cyclopropyl-2-pyridinyl)carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-N-(2-chlorophenyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-3-[8-amino-1-[4-[(4-cyclopropyl-2-pyridinyl)carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-N-(2-chlorophenyl)piperidine-1-carboxamide (CID 71222889) is (3R)-3-[8-amino-1-[4-[(4-cyclopropyl-2-pyridinyl)carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-N-(2-chlorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-[8-amino-1-[4-[(4-cyclopropyl-2-pyridinyl)carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-N-(2-chlorophenyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-[8-amino-1-[4-[(4-cyclopropyl-2-pyridinyl)carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-N-(2-chlorophenyl)piperidine-1-carboxamide is Nc1nccn2c([C@@H]3CCCN(C(=O)Nc4ccccc4Cl)C3)nc(-c3ccc(C(=O)Nc4cc(C5CC5)ccn4)cc3)c12.
What is the InChIKey of (3R)-3-[8-amino-1-[4-[(4-cyclopropyl-2-pyridinyl)carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-N-(2-chlorophenyl)piperidine-1-carboxamide?
The InChIKey is RKCNLHDTMAERQH-XMMPIXPASA-N. The full InChI is InChI=1S/C33H31ClN8O2/c34-25-5-1-2-6-26(25)38-33(44)41-16-3-4-24(19-41)31-40-28(29-30(35)37-15-17-42(29)31)21-9-11-22(12-10-21)32(43)39-27-18-23(13-14-36-27)20-7-8-20/h1-2,5-6,9-15,17-18,20,24H,3-4,7-8,16,19H2,(H2,35,37)(H,38,44)(H,36,39,43)/t24-/m1/s1.
What are the key properties of (3R)-3-[8-amino-1-[4-[(4-cyclopropyl-2-pyridinyl)carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-N-(2-chlorophenyl)piperidine-1-carboxamide?
(3R)-3-[8-amino-1-[4-[(4-cyclopropyl-2-pyridinyl)carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-N-(2-chlorophenyl)piperidine-1-carboxamide has a molecular weight of 607.12 g/mol, XLogP of 6.57, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[8-amino-1-[4-[(4-cyclopropyl-2-pyridinyl)carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-N-(2-chlorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 71222889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).