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

C30H27FN6O2 — CID 170008763

IUPACN-[7-[6-fluoro-1-methyl-3-(2-phenylpyrrolidine-1-carbonyl)indol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCn1cc(C(=O)N2CCCC2c2ccccc2)c2cc(-c3ccn4nc(NC(=O)C5CC5)nc4c3)c(F)cc21
InChIInChI=1S/C30H27FN6O2/c1-35-17-23(29(39)36-12-5-8-25(36)18-6-3-2-4-7-18)22-15-21(24(31)16-26(22)35)20-11-13-37-27(14-20)32-30(34-37)33-28(38)19-9-10-19/h2-4,6-7,11,13-17,19,25H,5,8-10,12H2,1H3,(H,33,34,38)
InChIKeyJOAZWQSYHYOANK-UHFFFAOYSA-N
MW522.58 g/mol
LogP5.35
Rot. Bonds5

About 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

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 (PubChem CID 170008763) has the molecular formula C30H27FN6O2 and a molecular weight of 522.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[7-[6-fluoro-1-methyl-3-(2-phenylpyrrolidine-1-carbonyl)indol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID170008763
Molecular FormulaC30H27FN6O2
Molecular Weight522.58 g/mol
Exact Mass522.22
IUPAC NameN-[7-[6-fluoro-1-methyl-3-(2-phenylpyrrolidine-1-carbonyl)indol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCn1cc(C(=O)N2CCCC2c2ccccc2)c2cc(-c3ccn4nc(NC(=O)C5CC5)nc4c3)c(F)cc21
InChIInChI=1S/C30H27FN6O2/c1-35-17-23(29(39)36-12-5-8-25(36)18-6-3-2-4-7-18)22-15-21(24(31)16-26(22)35)20-11-13-37-27(14-20)32-30(34-37)33-28(38)19-9-10-19/h2-4,6-7,11,13-17,19,25H,5,8-10,12H2,1H3,(H,33,34,38)
InChIKeyJOAZWQSYHYOANK-UHFFFAOYSA-N
XLogP5.35
TPSA84.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.58
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cn1cc(C(=O)N2CCCC2c2ccccc2)c2cc(-c3ccn4nc(NC(=O)C5CC5)nc4c3)c(F)cc21.
What is the InChIKey of 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?
The InChIKey is JOAZWQSYHYOANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27FN6O2/c1-35-17-23(29(39)36-12-5-8-25(36)18-6-3-2-4-7-18)22-15-21(24(31)16-26(22)35)20-11-13-37-27(14-20)32-30(34-37)33-28(38)19-9-10-19/h2-4,6-7,11,13-17,19,25H,5,8-10,12H2,1H3,(H,33,34,38).
What are the key properties of 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?
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 has a molecular weight of 522.58 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170008763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).