5-phenyl-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazolidine-3-carboxamide

C18H20N6O — CID 133141911

IUPAC5-phenyl-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazolidine-3-carboxamide
SMILESC[C@@H](NC(=O)C1CC(c2ccccc2)NN1)c1nnc2ccccn12
InChIInChI=1S/C18H20N6O/c1-12(17-23-22-16-9-5-6-10-24(16)17)19-18(25)15-11-14(20-21-15)13-7-3-2-4-8-13/h2-10,12,14-15,20-21H,11H2,1H3,(H,19,25)/t12-,14?,15?/m1/s1
InChIKeySAPCTVXCQVAGIZ-LRVUVFPRSA-N
MW336.40 g/mol
LogP1.51
Rot. Bonds4

About 5-phenyl-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazolidine-3-carboxamide

5-phenyl-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazolidine-3-carboxamide (PubChem CID 133141911) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 5-phenyl-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-phenyl-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazolidine-3-carboxamide
PubChem CID133141911
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name5-phenyl-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazolidine-3-carboxamide
SMILESC[C@@H](NC(=O)C1CC(c2ccccc2)NN1)c1nnc2ccccn12
InChIInChI=1S/C18H20N6O/c1-12(17-23-22-16-9-5-6-10-24(16)17)19-18(25)15-11-14(20-21-15)13-7-3-2-4-8-13/h2-10,12,14-15,20-21H,11H2,1H3,(H,19,25)/t12-,14?,15?/m1/s1
InChIKeySAPCTVXCQVAGIZ-LRVUVFPRSA-N
XLogP1.51
TPSA83.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-phenyl-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazolidine-3-carboxamide with MolForge

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Related Compounds

2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60940994
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CID 119836858
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiomorpholine-3-carboxamide
CID 82905701
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119836866
3-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 102777774
2-amino-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 43703564
(2R,3S)-2-methyl-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 94508687
2,2-diphenyl-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 7692945
1-benzyl-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
CID 47012876
2-(methylamino)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 55097089
4-oxo-4-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 51247765
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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazolidine-3-carboxamide?
The IUPAC name of 5-phenyl-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazolidine-3-carboxamide (CID 133141911) is 5-phenyl-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-phenyl-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazolidine-3-carboxamide?
The canonical SMILES for 5-phenyl-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazolidine-3-carboxamide is C[C@@H](NC(=O)C1CC(c2ccccc2)NN1)c1nnc2ccccn12.
What is the InChIKey of 5-phenyl-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazolidine-3-carboxamide?
The InChIKey is SAPCTVXCQVAGIZ-LRVUVFPRSA-N. The full InChI is InChI=1S/C18H20N6O/c1-12(17-23-22-16-9-5-6-10-24(16)17)19-18(25)15-11-14(20-21-15)13-7-3-2-4-8-13/h2-10,12,14-15,20-21H,11H2,1H3,(H,19,25)/t12-,14?,15?/m1/s1.
What are the key properties of 5-phenyl-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazolidine-3-carboxamide?
5-phenyl-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazolidine-3-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 1.51, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazolidine-3-carboxamide is sourced from PubChem (CID 133141911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).