N-[5-[4-(3,3-difluoropyrrolidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C21H19F2N5O2 — CID 67328716

IUPACN-[5-[4-(3,3-difluoropyrrolidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(C(=O)N4CCC(F)(F)C4)cc3)n2n1)C1CC1
InChIInChI=1S/C21H19F2N5O2/c22-21(23)10-11-27(12-21)19(30)15-8-4-13(5-9-15)16-2-1-3-17-24-20(26-28(16)17)25-18(29)14-6-7-14/h1-5,8-9,14H,6-7,10-12H2,(H,25,26,29)
InChIKeyQBUZQDAZUNGXPX-UHFFFAOYSA-N
MW411.41 g/mol
LogP3.23
Rot. Bonds4

About N-[5-[4-(3,3-difluoropyrrolidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[4-(3,3-difluoropyrrolidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 67328716) has the molecular formula C21H19F2N5O2 and a molecular weight of 411.41 g/mol. Its IUPAC name is N-[5-[4-(3,3-difluoropyrrolidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-(3,3-difluoropyrrolidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID67328716
Molecular FormulaC21H19F2N5O2
Molecular Weight411.41 g/mol
Exact Mass411.15
IUPAC NameN-[5-[4-(3,3-difluoropyrrolidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(C(=O)N4CCC(F)(F)C4)cc3)n2n1)C1CC1
InChIInChI=1S/C21H19F2N5O2/c22-21(23)10-11-27(12-21)19(30)15-8-4-13(5-9-15)16-2-1-3-17-24-20(26-28(16)17)25-18(29)14-6-7-14/h1-5,8-9,14H,6-7,10-12H2,(H,25,26,29)
InChIKeyQBUZQDAZUNGXPX-UHFFFAOYSA-N
XLogP3.23
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(3,3-difluoropyrrolidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-(3,3-difluoropyrrolidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 67328716) is N-[5-[4-(3,3-difluoropyrrolidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[4-(3,3-difluoropyrrolidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-(3,3-difluoropyrrolidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1nc2cccc(-c3ccc(C(=O)N4CCC(F)(F)C4)cc3)n2n1)C1CC1.
What is the InChIKey of N-[5-[4-(3,3-difluoropyrrolidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is QBUZQDAZUNGXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N5O2/c22-21(23)10-11-27(12-21)19(30)15-8-4-13(5-9-15)16-2-1-3-17-24-20(26-28(16)17)25-18(29)14-6-7-14/h1-5,8-9,14H,6-7,10-12H2,(H,25,26,29).
What are the key properties of N-[5-[4-(3,3-difluoropyrrolidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[4-(3,3-difluoropyrrolidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 411.41 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(3,3-difluoropyrrolidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 67328716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).