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

C22H22FN5O2 — CID 44626249

IUPACN-[5-[2-fluoro-4-(piperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(C(=O)N4CCCCC4)cc3F)n2n1)C1CC1
InChIInChI=1S/C22H22FN5O2/c23-17-13-15(21(30)27-11-2-1-3-12-27)9-10-16(17)18-5-4-6-19-24-22(26-28(18)19)25-20(29)14-7-8-14/h4-6,9-10,13-14H,1-3,7-8,11-12H2,(H,25,26,29)
InChIKeyWBLXFEJXSKEDHV-UHFFFAOYSA-N
MW407.45 g/mol
LogP3.51
Rot. Bonds4

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

N-[5-[2-fluoro-4-(piperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 44626249) has the molecular formula C22H22FN5O2 and a molecular weight of 407.45 g/mol. Its IUPAC name is N-[5-[2-fluoro-4-(piperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[2-fluoro-4-(piperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID44626249
Molecular FormulaC22H22FN5O2
Molecular Weight407.45 g/mol
Exact Mass407.18
IUPAC NameN-[5-[2-fluoro-4-(piperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(C(=O)N4CCCCC4)cc3F)n2n1)C1CC1
InChIInChI=1S/C22H22FN5O2/c23-17-13-15(21(30)27-11-2-1-3-12-27)9-10-16(17)18-5-4-6-19-24-22(26-28(18)19)25-20(29)14-7-8-14/h4-6,9-10,13-14H,1-3,7-8,11-12H2,(H,25,26,29)
InChIKeyWBLXFEJXSKEDHV-UHFFFAOYSA-N
XLogP3.51
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-fluoro-4-(piperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[2-fluoro-4-(piperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 44626249) is N-[5-[2-fluoro-4-(piperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[2-fluoro-4-(piperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[2-fluoro-4-(piperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1nc2cccc(-c3ccc(C(=O)N4CCCCC4)cc3F)n2n1)C1CC1.
What is the InChIKey of N-[5-[2-fluoro-4-(piperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is WBLXFEJXSKEDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O2/c23-17-13-15(21(30)27-11-2-1-3-12-27)9-10-16(17)18-5-4-6-19-24-22(26-28(18)19)25-20(29)14-7-8-14/h4-6,9-10,13-14H,1-3,7-8,11-12H2,(H,25,26,29).
What are the key properties of N-[5-[2-fluoro-4-(piperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[2-fluoro-4-(piperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 407.45 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-fluoro-4-(piperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 44626249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).