(3R)-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide

C30H33N5O2 — CID 171543881

IUPAC(3R)-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide
SMILESCOc1cccc(-c2nc([C@@H]3CCCN(C(=O)Nc4ccc(N5CCCC5)cc4)C3)n3ccccc23)c1
InChIInChI=1S/C30H33N5O2/c1-37-26-10-6-8-22(20-26)28-27-11-2-3-19-35(27)29(32-28)23-9-7-18-34(21-23)30(36)31-24-12-14-25(15-13-24)33-16-4-5-17-33/h2-3,6,8,10-15,19-20,23H,4-5,7,9,16-18,21H2,1H3,(H,31,36)/t23-/m1/s1
InChIKeySDYCQQVYGXCNTR-HSZRJFAPSA-N
MW495.63 g/mol
LogP6.02
Rot. Bonds5

About (3R)-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide

(3R)-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide (PubChem CID 171543881) has the molecular formula C30H33N5O2 and a molecular weight of 495.63 g/mol. Its IUPAC name is (3R)-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide
PubChem CID171543881
Molecular FormulaC30H33N5O2
Molecular Weight495.63 g/mol
Exact Mass495.26
IUPAC Name(3R)-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide
SMILESCOc1cccc(-c2nc([C@@H]3CCCN(C(=O)Nc4ccc(N5CCCC5)cc4)C3)n3ccccc23)c1
InChIInChI=1S/C30H33N5O2/c1-37-26-10-6-8-22(20-26)28-27-11-2-3-19-35(27)29(32-28)23-9-7-18-34(21-23)30(36)31-24-12-14-25(15-13-24)33-16-4-5-17-33/h2-3,6,8,10-15,19-20,23H,4-5,7,9,16-18,21H2,1H3,(H,31,36)/t23-/m1/s1
InChIKeySDYCQQVYGXCNTR-HSZRJFAPSA-N
XLogP6.02
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.63
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-[4-(methylamino)phenyl]piperidine-1-carboxamide
CID 171544137
methyl 4-[[3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carbonyl]amino]benzoate
CID 24811128
3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide
CID 24812413
(3R)-N-[4-(diethylamino)phenyl]-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide
CID 171544152
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide
CID 24812218
(3R)-N-(2-methoxyphenyl)-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide
CID 171543886
(3R)-N-[3-(dimethylcarbamoyl)phenyl]-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide
CID 171544104
(3R)-N-[2-(dimethylamino)phenyl]-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide
CID 171544276
N-(3-methoxy-2-methylphenyl)-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide
CID 171543958
3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 24812516
3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidine-1-carboxamide
CID 24812517
3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-(2-morpholin-4-ylethyl)piperidine-1-carboxamide
CID 171543834

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide (CID 171543881) is (3R)-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide is COc1cccc(-c2nc([C@@H]3CCCN(C(=O)Nc4ccc(N5CCCC5)cc4)C3)n3ccccc23)c1.
What is the InChIKey of (3R)-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide?
The InChIKey is SDYCQQVYGXCNTR-HSZRJFAPSA-N. The full InChI is InChI=1S/C30H33N5O2/c1-37-26-10-6-8-22(20-26)28-27-11-2-3-19-35(27)29(32-28)23-9-7-18-34(21-23)30(36)31-24-12-14-25(15-13-24)33-16-4-5-17-33/h2-3,6,8,10-15,19-20,23H,4-5,7,9,16-18,21H2,1H3,(H,31,36)/t23-/m1/s1.
What are the key properties of (3R)-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide?
(3R)-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide has a molecular weight of 495.63 g/mol, XLogP of 6.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 171543881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).