(2R)-2-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-2-phenyl-1-pyrrolidin-1-ylethanone

C19H25N5O — CID 95312243

IUPAC(2R)-2-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-2-phenyl-1-pyrrolidin-1-ylethanone
SMILESCc1nc2n(n1)C[C@H](N[C@@H](C(=O)N1CCCC1)c1ccccc1)CC2
InChIInChI=1S/C19H25N5O/c1-14-20-17-10-9-16(13-24(17)22-14)21-18(15-7-3-2-4-8-15)19(25)23-11-5-6-12-23/h2-4,7-8,16,18,21H,5-6,9-13H2,1H3/t16-,18-/m1/s1
InChIKeyFUIPVCYPSKVUFT-SJLPKXTDSA-N
MW339.44 g/mol
LogP1.85
Rot. Bonds4

About (2R)-2-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-2-phenyl-1-pyrrolidin-1-ylethanone

(2R)-2-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-2-phenyl-1-pyrrolidin-1-ylethanone (PubChem CID 95312243) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is (2R)-2-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-2-phenyl-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name(2R)-2-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-2-phenyl-1-pyrrolidin-1-ylethanone
PubChem CID95312243
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name(2R)-2-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-2-phenyl-1-pyrrolidin-1-ylethanone
SMILESCc1nc2n(n1)C[C@H](N[C@@H](C(=O)N1CCCC1)c1ccccc1)CC2
InChIInChI=1S/C19H25N5O/c1-14-20-17-10-9-16(13-24(17)22-14)21-18(15-7-3-2-4-8-15)19(25)23-11-5-6-12-23/h2-4,7-8,16,18,21H,5-6,9-13H2,1H3/t16-,18-/m1/s1
InChIKeyFUIPVCYPSKVUFT-SJLPKXTDSA-N
XLogP1.85
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-2-phenyl-1-pyrrolidin-1-ylethanone with MolForge

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Related Compounds

3-amino-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)cyclohexane-1-carboxamide
CID 119770730
4-[(2-methylbenzoyl)amino]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidine-1-carboxamide
CID 154797764
1-[(1R)-1-(2-methylsulfanylphenyl)ethyl]-3-[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
CID 100729530
(1R)-1-(2-chlorophenyl)-2-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]ethanol
CID 95979079
(6R)-N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 99824558
1-(2,3-dihydroindol-1-yl)-3-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]propan-1-one
CID 56781313
2-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 138054424
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propanamide
CID 95313587
3-amino-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide;hydrochloride
CID 119770741
2-methyl-N-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 115616214
(2S)-1-[benzyl(methyl)amino]-3-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-2-ol
CID 95610619
6-chloro-N-[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 99795052

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-2-phenyl-1-pyrrolidin-1-ylethanone?
The IUPAC name of (2R)-2-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-2-phenyl-1-pyrrolidin-1-ylethanone (CID 95312243) is (2R)-2-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-2-phenyl-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for (2R)-2-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-2-phenyl-1-pyrrolidin-1-ylethanone?
The canonical SMILES for (2R)-2-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-2-phenyl-1-pyrrolidin-1-ylethanone is Cc1nc2n(n1)C[C@H](N[C@@H](C(=O)N1CCCC1)c1ccccc1)CC2.
What is the InChIKey of (2R)-2-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-2-phenyl-1-pyrrolidin-1-ylethanone?
The InChIKey is FUIPVCYPSKVUFT-SJLPKXTDSA-N. The full InChI is InChI=1S/C19H25N5O/c1-14-20-17-10-9-16(13-24(17)22-14)21-18(15-7-3-2-4-8-15)19(25)23-11-5-6-12-23/h2-4,7-8,16,18,21H,5-6,9-13H2,1H3/t16-,18-/m1/s1.
What are the key properties of (2R)-2-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-2-phenyl-1-pyrrolidin-1-ylethanone?
(2R)-2-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-2-phenyl-1-pyrrolidin-1-ylethanone has a molecular weight of 339.44 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-2-phenyl-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 95312243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).