N-[7-[3-[2-(3,5-difluorophenyl)pyrrolidine-1-carbonyl]-1-methylindol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C30H26F2N6O2 — CID 170010119

IUPACN-[7-[3-[2-(3,5-difluorophenyl)pyrrolidine-1-carbonyl]-1-methylindol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCn1cc(C(=O)N2CCCC2c2cc(F)cc(F)c2)c2cc(-c3ccn4nc(NC(=O)C5CC5)nc4c3)ccc21
InChIInChI=1S/C30H26F2N6O2/c1-36-16-24(29(40)37-9-2-3-25(37)20-11-21(31)15-22(32)12-20)23-13-18(6-7-26(23)36)19-8-10-38-27(14-19)33-30(35-38)34-28(39)17-4-5-17/h6-8,10-17,25H,2-5,9H2,1H3,(H,34,35,39)
InChIKeyHVNMOAZRUULFJM-UHFFFAOYSA-N
MW540.57 g/mol
LogP5.49
Rot. Bonds5

About N-[7-[3-[2-(3,5-difluorophenyl)pyrrolidine-1-carbonyl]-1-methylindol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[7-[3-[2-(3,5-difluorophenyl)pyrrolidine-1-carbonyl]-1-methylindol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 170010119) has the molecular formula C30H26F2N6O2 and a molecular weight of 540.57 g/mol. Its IUPAC name is N-[7-[3-[2-(3,5-difluorophenyl)pyrrolidine-1-carbonyl]-1-methylindol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[7-[3-[2-(3,5-difluorophenyl)pyrrolidine-1-carbonyl]-1-methylindol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID170010119
Molecular FormulaC30H26F2N6O2
Molecular Weight540.57 g/mol
Exact Mass540.21
IUPAC NameN-[7-[3-[2-(3,5-difluorophenyl)pyrrolidine-1-carbonyl]-1-methylindol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCn1cc(C(=O)N2CCCC2c2cc(F)cc(F)c2)c2cc(-c3ccn4nc(NC(=O)C5CC5)nc4c3)ccc21
InChIInChI=1S/C30H26F2N6O2/c1-36-16-24(29(40)37-9-2-3-25(37)20-11-21(31)15-22(32)12-20)23-13-18(6-7-26(23)36)19-8-10-38-27(14-19)33-30(35-38)34-28(39)17-4-5-17/h6-8,10-17,25H,2-5,9H2,1H3,(H,34,35,39)
InChIKeyHVNMOAZRUULFJM-UHFFFAOYSA-N
XLogP5.49
TPSA84.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.57
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[7-[6-fluoro-1-methyl-3-(2-phenylpyrrolidine-1-carbonyl)indol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 170008763
5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1R)-1-(3-fluorophenyl)-2-hydroxyethyl]-1-methylindole-3-carboxamide
CID 170008683
5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-N-[2-(4-methylphenyl)butan-2-yl]indole-3-carboxamide
CID 170012281
CID 174087484
CID 174087484
N-(7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide
CID 170408736
(2S)-N-[7-[1-ethyl-3-(pyrrolidine-1-carbonyl)indol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methoxypropanamide
CID 170008932
N-(2,4-dichlorophenyl)-1-(5-fluoro-1-methylindole-3-carbonyl)pyrrolidine-2-carboxamide
CID 119040123
N-[7-(2-methylsulfanylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 170409270
5-(2-formamido-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-N-(1-phenylethyl)indole-3-carboxamide
CID 170007745
(2R)-1-(cyclopentanecarbonyl)-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-2-carboxamide
CID 124511345
N-[1-(3-fluorophenyl)ethyl]-5-[2-(3-hydroxyazetidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylindole-3-carboxamide
CID 170010037
(1-methylindol-3-yl)-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 96580779

Frequently Asked Questions

What is the IUPAC name of N-[7-[3-[2-(3,5-difluorophenyl)pyrrolidine-1-carbonyl]-1-methylindol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[7-[3-[2-(3,5-difluorophenyl)pyrrolidine-1-carbonyl]-1-methylindol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 170010119) is N-[7-[3-[2-(3,5-difluorophenyl)pyrrolidine-1-carbonyl]-1-methylindol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[7-[3-[2-(3,5-difluorophenyl)pyrrolidine-1-carbonyl]-1-methylindol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[7-[3-[2-(3,5-difluorophenyl)pyrrolidine-1-carbonyl]-1-methylindol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is Cn1cc(C(=O)N2CCCC2c2cc(F)cc(F)c2)c2cc(-c3ccn4nc(NC(=O)C5CC5)nc4c3)ccc21.
What is the InChIKey of N-[7-[3-[2-(3,5-difluorophenyl)pyrrolidine-1-carbonyl]-1-methylindol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is HVNMOAZRUULFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26F2N6O2/c1-36-16-24(29(40)37-9-2-3-25(37)20-11-21(31)15-22(32)12-20)23-13-18(6-7-26(23)36)19-8-10-38-27(14-19)33-30(35-38)34-28(39)17-4-5-17/h6-8,10-17,25H,2-5,9H2,1H3,(H,34,35,39).
What are the key properties of N-[7-[3-[2-(3,5-difluorophenyl)pyrrolidine-1-carbonyl]-1-methylindol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[7-[3-[2-(3,5-difluorophenyl)pyrrolidine-1-carbonyl]-1-methylindol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 540.57 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[3-[2-(3,5-difluorophenyl)pyrrolidine-1-carbonyl]-1-methylindol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 170010119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).