(3R)-N-[4-(dimethylamino)phenyl]-3-[1-[2-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide

C28H28F3N5O — CID 171543840

IUPAC(3R)-N-[4-(dimethylamino)phenyl]-3-[1-[2-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide
SMILESCN(C)c1ccc(NC(=O)N2CCC[C@@H](c3nc(-c4ccccc4C(F)(F)F)c4ccccn34)C2)cc1
InChIInChI=1S/C28H28F3N5O/c1-34(2)21-14-12-20(13-15-21)32-27(37)35-16-7-8-19(18-35)26-33-25(24-11-5-6-17-36(24)26)22-9-3-4-10-23(22)28(29,30)31/h3-6,9-15,17,19H,7-8,16,18H2,1-2H3,(H,32,37)/t19-/m1/s1
InChIKeyAXQNHPKGGPZSCF-LJQANCHMSA-N
MW507.56 g/mol
LogP6.50
Rot. Bonds4

About (3R)-N-[4-(dimethylamino)phenyl]-3-[1-[2-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide

(3R)-N-[4-(dimethylamino)phenyl]-3-[1-[2-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide (PubChem CID 171543840) has the molecular formula C28H28F3N5O and a molecular weight of 507.56 g/mol. Its IUPAC name is (3R)-N-[4-(dimethylamino)phenyl]-3-[1-[2-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[4-(dimethylamino)phenyl]-3-[1-[2-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide
PubChem CID171543840
Molecular FormulaC28H28F3N5O
Molecular Weight507.56 g/mol
Exact Mass507.22
IUPAC Name(3R)-N-[4-(dimethylamino)phenyl]-3-[1-[2-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide
SMILESCN(C)c1ccc(NC(=O)N2CCC[C@@H](c3nc(-c4ccccc4C(F)(F)F)c4ccccn34)C2)cc1
InChIInChI=1S/C28H28F3N5O/c1-34(2)21-14-12-20(13-15-21)32-27(37)35-16-7-8-19(18-35)26-33-25(24-11-5-6-17-36(24)26)22-9-3-4-10-23(22)28(29,30)31/h3-6,9-15,17,19H,7-8,16,18H2,1-2H3,(H,32,37)/t19-/m1/s1
InChIKeyAXQNHPKGGPZSCF-LJQANCHMSA-N
XLogP6.50
TPSA52.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.56
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[4-(dimethylamino)phenyl]-3-[1-[2-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide?
The IUPAC name of (3R)-N-[4-(dimethylamino)phenyl]-3-[1-[2-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide (CID 171543840) is (3R)-N-[4-(dimethylamino)phenyl]-3-[1-[2-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[4-(dimethylamino)phenyl]-3-[1-[2-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-[4-(dimethylamino)phenyl]-3-[1-[2-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide is CN(C)c1ccc(NC(=O)N2CCC[C@@H](c3nc(-c4ccccc4C(F)(F)F)c4ccccn34)C2)cc1.
What is the InChIKey of (3R)-N-[4-(dimethylamino)phenyl]-3-[1-[2-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide?
The InChIKey is AXQNHPKGGPZSCF-LJQANCHMSA-N. The full InChI is InChI=1S/C28H28F3N5O/c1-34(2)21-14-12-20(13-15-21)32-27(37)35-16-7-8-19(18-35)26-33-25(24-11-5-6-17-36(24)26)22-9-3-4-10-23(22)28(29,30)31/h3-6,9-15,17,19H,7-8,16,18H2,1-2H3,(H,32,37)/t19-/m1/s1.
What are the key properties of (3R)-N-[4-(dimethylamino)phenyl]-3-[1-[2-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide?
(3R)-N-[4-(dimethylamino)phenyl]-3-[1-[2-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide has a molecular weight of 507.56 g/mol, XLogP of 6.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[4-(dimethylamino)phenyl]-3-[1-[2-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 171543840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).