(3R)-N-[3-(dimethylamino)propyl]-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide

C25H33N5O2 — CID 171543850

IUPAC(3R)-N-[3-(dimethylamino)propyl]-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide
SMILESCOc1cccc(-c2nc([C@@H]3CCCN(C(=O)NCCCN(C)C)C3)n3ccccc23)c1
InChIInChI=1S/C25H33N5O2/c1-28(2)14-8-13-26-25(31)29-15-7-10-20(18-29)24-27-23(22-12-4-5-16-30(22)24)19-9-6-11-21(17-19)32-3/h4-6,9,11-12,16-17,20H,7-8,10,13-15,18H2,1-3H3,(H,26,31)/t20-/m1/s1
InChIKeyGSXXCAFKZXXKSN-HXUWFJFHSA-N
MW435.57 g/mol
LogP3.85
Rot. Bonds7

About (3R)-N-[3-(dimethylamino)propyl]-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide

(3R)-N-[3-(dimethylamino)propyl]-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide (PubChem CID 171543850) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is (3R)-N-[3-(dimethylamino)propyl]-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[3-(dimethylamino)propyl]-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide
PubChem CID171543850
Molecular FormulaC25H33N5O2
Molecular Weight435.57 g/mol
Exact Mass435.26
IUPAC Name(3R)-N-[3-(dimethylamino)propyl]-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide
SMILESCOc1cccc(-c2nc([C@@H]3CCCN(C(=O)NCCCN(C)C)C3)n3ccccc23)c1
InChIInChI=1S/C25H33N5O2/c1-28(2)14-8-13-26-25(31)29-15-7-10-20(18-29)24-27-23(22-12-4-5-16-30(22)24)19-9-6-11-21(17-19)32-3/h4-6,9,11-12,16-17,20H,7-8,10,13-15,18H2,1-3H3,(H,26,31)/t20-/m1/s1
InChIKeyGSXXCAFKZXXKSN-HXUWFJFHSA-N
XLogP3.85
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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-(2-morpholin-4-ylethyl)piperidine-1-carboxamide
CID 171543834
(3R)-N-(2-methoxyphenyl)-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide
CID 171543886
(3R)-N-[2-(dimethylamino)phenyl]-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide
CID 171544276
(3R)-N-[3-(dimethylcarbamoyl)phenyl]-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide
CID 171544104
(3R)-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-[4-(methylamino)phenyl]piperidine-1-carboxamide
CID 171544137
(3R)-N-[4-(diethylamino)phenyl]-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide
CID 171544152
N-(3-methoxy-2-methylphenyl)-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide
CID 171543958
methyl 4-[[3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carbonyl]amino]benzoate
CID 24811128
2-[2-[3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidin-1-yl]-2-oxoethoxy]acetic acid
CID 24812317
(3R)-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide
CID 171543881
3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidine-1-carboxamide
CID 24812517

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[3-(dimethylamino)propyl]-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide?
The IUPAC name of (3R)-N-[3-(dimethylamino)propyl]-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide (CID 171543850) is (3R)-N-[3-(dimethylamino)propyl]-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[3-(dimethylamino)propyl]-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-[3-(dimethylamino)propyl]-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide is COc1cccc(-c2nc([C@@H]3CCCN(C(=O)NCCCN(C)C)C3)n3ccccc23)c1.
What is the InChIKey of (3R)-N-[3-(dimethylamino)propyl]-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide?
The InChIKey is GSXXCAFKZXXKSN-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H33N5O2/c1-28(2)14-8-13-26-25(31)29-15-7-10-20(18-29)24-27-23(22-12-4-5-16-30(22)24)19-9-6-11-21(17-19)32-3/h4-6,9,11-12,16-17,20H,7-8,10,13-15,18H2,1-3H3,(H,26,31)/t20-/m1/s1.
What are the key properties of (3R)-N-[3-(dimethylamino)propyl]-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide?
(3R)-N-[3-(dimethylamino)propyl]-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide has a molecular weight of 435.57 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[3-(dimethylamino)propyl]-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 171543850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).