(3R)-N-[(2,4-difluorophenyl)methyl]-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide

C20H21F2N5O — CID 95115025

IUPAC(3R)-N-[(2,4-difluorophenyl)methyl]-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
SMILESCc1cccc2nnc(N3CCC[C@@H](C(=O)NCc4ccc(F)cc4F)C3)n12
InChIInChI=1S/C20H21F2N5O/c1-13-4-2-6-18-24-25-20(27(13)18)26-9-3-5-15(12-26)19(28)23-11-14-7-8-16(21)10-17(14)22/h2,4,6-8,10,15H,3,5,9,11-12H2,1H3,(H,23,28)/t15-/m1/s1
InChIKeyXAFAOQFTTQACLV-OAHLLOKOSA-N
MW385.42 g/mol
LogP2.85
Rot. Bonds4

About (3R)-N-[(2,4-difluorophenyl)methyl]-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide

(3R)-N-[(2,4-difluorophenyl)methyl]-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide (PubChem CID 95115025) has the molecular formula C20H21F2N5O and a molecular weight of 385.42 g/mol. Its IUPAC name is (3R)-N-[(2,4-difluorophenyl)methyl]-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2,4-difluorophenyl)methyl]-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
PubChem CID95115025
Molecular FormulaC20H21F2N5O
Molecular Weight385.42 g/mol
Exact Mass385.17
IUPAC Name(3R)-N-[(2,4-difluorophenyl)methyl]-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
SMILESCc1cccc2nnc(N3CCC[C@@H](C(=O)NCc4ccc(F)cc4F)C3)n12
InChIInChI=1S/C20H21F2N5O/c1-13-4-2-6-18-24-25-20(27(13)18)26-9-3-5-15(12-26)19(28)23-11-14-7-8-16(21)10-17(14)22/h2,4,6-8,10,15H,3,5,9,11-12H2,1H3,(H,23,28)/t15-/m1/s1
InChIKeyXAFAOQFTTQACLV-OAHLLOKOSA-N
XLogP2.85
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-[(2,4-dimethoxyphenyl)methyl]-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
CID 95115036
1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-propylpiperidine-3-carboxamide
CID 53202961
(3S)-N-(3-fluoro-4-methylphenyl)-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
CID 95114977
(3S)-N-[(2-fluorophenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
CID 95114585
N-(3-fluoro-4-methoxyphenyl)-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
CID 53203269
N-[(2,4-difluorophenyl)methyl]-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 90610569
(4-methylpiperazin-1-yl)-[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanone
CID 83274022
(3S)-N-[(3-methylphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
CID 95114823
2-(4-fluorophenyl)-N-[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]acetamide
CID 83278157
(4-cyclohexylpiperazin-1-yl)-[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanone
CID 53203316
1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 53203178
(3R)-N-[(2,4-difluorophenyl)methyl]-1-[2-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]piperidine-3-carboxamide
CID 92895243

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2,4-difluorophenyl)methyl]-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(2,4-difluorophenyl)methyl]-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide (CID 95115025) is (3R)-N-[(2,4-difluorophenyl)methyl]-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2,4-difluorophenyl)methyl]-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(2,4-difluorophenyl)methyl]-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide is Cc1cccc2nnc(N3CCC[C@@H](C(=O)NCc4ccc(F)cc4F)C3)n12.
What is the InChIKey of (3R)-N-[(2,4-difluorophenyl)methyl]-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide?
The InChIKey is XAFAOQFTTQACLV-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H21F2N5O/c1-13-4-2-6-18-24-25-20(27(13)18)26-9-3-5-15(12-26)19(28)23-11-14-7-8-16(21)10-17(14)22/h2,4,6-8,10,15H,3,5,9,11-12H2,1H3,(H,23,28)/t15-/m1/s1.
What are the key properties of (3R)-N-[(2,4-difluorophenyl)methyl]-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide?
(3R)-N-[(2,4-difluorophenyl)methyl]-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide has a molecular weight of 385.42 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2,4-difluorophenyl)methyl]-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 95115025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).