N-[5-[4-(pyrrolidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(4-thiophen-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C41H37N9O3S — CID 159520043

IUPACN-[5-[4-(pyrrolidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(4-thiophen-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(-c4cccs4)cc3)n2n1)C1CC1.O=C(Nc1nc2cccc(-c3ccc(C(=O)N4CCCC4)cc3)n2n1)C1CC1
InChIInChI=1S/C21H21N5O2.C20H16N4OS/c27-19(15-8-9-15)23-21-22-18-5-3-4-17(26(18)24-21)14-6-10-16(11-7-14)20(28)25-12-1-2-13-25;25-19(15-10-11-15)22-20-21-18-5-1-3-16(24(18)23-20)13-6-8-14(9-7-13)17-4-2-12-26-17/h3-7,10-11,15H,1-2,8-9,12-13H2,(H,23,24,27);1-9,12,15H,10-11H2,(H,22,23,25)
InChIKeyMBRRHYSGZICZIX-UHFFFAOYSA-N
MW735.87 g/mol
LogP7.45
Rot. Bonds8

About N-[5-[4-(pyrrolidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(4-thiophen-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[4-(pyrrolidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(4-thiophen-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 159520043) has the molecular formula C41H37N9O3S and a molecular weight of 735.87 g/mol. Its IUPAC name is N-[5-[4-(pyrrolidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(4-thiophen-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-(pyrrolidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(4-thiophen-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID159520043
Molecular FormulaC41H37N9O3S
Molecular Weight735.87 g/mol
Exact Mass735.27
IUPAC NameN-[5-[4-(pyrrolidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(4-thiophen-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(-c4cccs4)cc3)n2n1)C1CC1.O=C(Nc1nc2cccc(-c3ccc(C(=O)N4CCCC4)cc3)n2n1)C1CC1
InChIInChI=1S/C21H21N5O2.C20H16N4OS/c27-19(15-8-9-15)23-21-22-18-5-3-4-17(26(18)24-21)14-6-10-16(11-7-14)20(28)25-12-1-2-13-25;25-19(15-10-11-15)22-20-21-18-5-1-3-16(24(18)23-20)13-6-8-14(9-7-13)17-4-2-12-26-17/h3-7,10-11,15H,1-2,8-9,12-13H2,(H,23,24,27);1-9,12,15H,10-11H2,(H,22,23,25)
InChIKeyMBRRHYSGZICZIX-UHFFFAOYSA-N
XLogP7.45
TPSA138.89 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.87
LogP ≤ 57.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[5-[4-(pyrrolidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(4-thiophen-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide with MolForge

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Related Compounds

N-[5-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 58374815
2,3-Dihydroindol-1-yl-(3-methyl-1-phenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 2544072
N-(5-(4-(4-phenethylpiperidine-1-carbonyl(phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide
CID 44625290
(3-Methyl-1-phenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-pyrrolidin-1-ylmethanone
CID 27670267
6-cyclopropyl-1-methyl-3-pyrrolidin-3-yl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134789955
(1R)-3-[2-[4-[7-cyclopropyl-5-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]ethyl]-1-methylcyclohexane-1-carboxamide
CID 142600033
1-[4-[7-cyclopropyl-5-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]pyrrolidine-3-carboxamide
CID 142600194
trans-(1S,2S)-2-[4-[7-cyclopropyl-5-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]cyclopropane-1-carboxamide
CID 155284318
trans-(1S,2S)-2-[4-[7-cyclopropyl-5-[(4R)-2-fluoro-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]cyclopropane-1-carboxamide
CID 155284346
(3S)-1-[4-[7-cyclopropyl-5-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]pyrrolidine-3-carboxamide
CID 155284998
2-[(3R)-1-[4-[7-cyclopropyl-5-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]pyrrolidin-3-yl]acetamide
CID 155285076
2-[(3S)-1-[4-[7-cyclopropyl-5-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]pyrrolidin-3-yl]acetamide
CID 155285213

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(pyrrolidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(4-thiophen-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-(pyrrolidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(4-thiophen-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 159520043) is N-[5-[4-(pyrrolidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(4-thiophen-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[4-(pyrrolidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(4-thiophen-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-(pyrrolidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(4-thiophen-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1nc2cccc(-c3ccc(-c4cccs4)cc3)n2n1)C1CC1.O=C(Nc1nc2cccc(-c3ccc(C(=O)N4CCCC4)cc3)n2n1)C1CC1.
What is the InChIKey of N-[5-[4-(pyrrolidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(4-thiophen-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is MBRRHYSGZICZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2.C20H16N4OS/c27-19(15-8-9-15)23-21-22-18-5-3-4-17(26(18)24-21)14-6-10-16(11-7-14)20(28)25-12-1-2-13-25;25-19(15-10-11-15)22-20-21-18-5-1-3-16(24(18)23-20)13-6-8-14(9-7-13)17-4-2-12-26-17/h3-7,10-11,15H,1-2,8-9,12-13H2,(H,23,24,27);1-9,12,15H,10-11H2,(H,22,23,25).
What are the key properties of N-[5-[4-(pyrrolidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(4-thiophen-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[4-(pyrrolidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(4-thiophen-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 735.87 g/mol, XLogP of 7.45, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(pyrrolidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(4-thiophen-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 159520043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).