N-[5-[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C22H23F2N5O — CID 58374808

IUPACN-[5-[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(CN4CCC(F)(F)CC4)cc3)n2n1)C1CC1
InChIInChI=1S/C22H23F2N5O/c23-22(24)10-12-28(13-11-22)14-15-4-6-16(7-5-15)18-2-1-3-19-25-21(27-29(18)19)26-20(30)17-8-9-17/h1-7,17H,8-14H2,(H,26,27,30)
InChIKeyPFKFICBDHPHHLW-UHFFFAOYSA-N
MW411.46 g/mol
LogP3.98
Rot. Bonds5

About N-[5-[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 58374808) has the molecular formula C22H23F2N5O and a molecular weight of 411.46 g/mol. Its IUPAC name is N-[5-[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID58374808
Molecular FormulaC22H23F2N5O
Molecular Weight411.46 g/mol
Exact Mass411.19
IUPAC NameN-[5-[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(CN4CCC(F)(F)CC4)cc3)n2n1)C1CC1
InChIInChI=1S/C22H23F2N5O/c23-22(24)10-12-28(13-11-22)14-15-4-6-16(7-5-15)18-2-1-3-19-25-21(27-29(18)19)26-20(30)17-8-9-17/h1-7,17H,8-14H2,(H,26,27,30)
InChIKeyPFKFICBDHPHHLW-UHFFFAOYSA-N
XLogP3.98
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 58374808) is N-[5-[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1nc2cccc(-c3ccc(CN4CCC(F)(F)CC4)cc3)n2n1)C1CC1.
What is the InChIKey of N-[5-[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is PFKFICBDHPHHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N5O/c23-22(24)10-12-28(13-11-22)14-15-4-6-16(7-5-15)18-2-1-3-19-25-21(27-29(18)19)26-20(30)17-8-9-17/h1-7,17H,8-14H2,(H,26,27,30).
What are the key properties of N-[5-[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 411.46 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 58374808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).