N-[5-[4-[[(2-fluoro-6-methyl-3-pyridinyl)amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C23H21FN6O — CID 58374602

IUPACN-[5-[4-[[(2-fluoro-6-methyl-3-pyridinyl)amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCc1ccc(NCc2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)c(F)n1
InChIInChI=1S/C23H21FN6O/c1-14-5-12-18(21(24)26-14)25-13-15-6-8-16(9-7-15)19-3-2-4-20-27-23(29-30(19)20)28-22(31)17-10-11-17/h2-9,12,17,25H,10-11,13H2,1H3,(H,28,29,31)
InChIKeyJNTRGSNUHLLQRH-UHFFFAOYSA-N
MW416.46 g/mol
LogP4.20
Rot. Bonds6

About N-[5-[4-[[(2-fluoro-6-methyl-3-pyridinyl)amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[4-[[(2-fluoro-6-methyl-3-pyridinyl)amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 58374602) has the molecular formula C23H21FN6O and a molecular weight of 416.46 g/mol. Its IUPAC name is N-[5-[4-[[(2-fluoro-6-methyl-3-pyridinyl)amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-[[(2-fluoro-6-methyl-3-pyridinyl)amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID58374602
Molecular FormulaC23H21FN6O
Molecular Weight416.46 g/mol
Exact Mass416.18
IUPAC NameN-[5-[4-[[(2-fluoro-6-methyl-3-pyridinyl)amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCc1ccc(NCc2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)c(F)n1
InChIInChI=1S/C23H21FN6O/c1-14-5-12-18(21(24)26-14)25-13-15-6-8-16(9-7-15)19-3-2-4-20-27-23(29-30(19)20)28-22(31)17-10-11-17/h2-9,12,17,25H,10-11,13H2,1H3,(H,28,29,31)
InChIKeyJNTRGSNUHLLQRH-UHFFFAOYSA-N
XLogP4.20
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[[(2-fluoro-6-methyl-3-pyridinyl)amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-[[(2-fluoro-6-methyl-3-pyridinyl)amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 58374602) is N-[5-[4-[[(2-fluoro-6-methyl-3-pyridinyl)amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[4-[[(2-fluoro-6-methyl-3-pyridinyl)amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-[[(2-fluoro-6-methyl-3-pyridinyl)amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is Cc1ccc(NCc2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)c(F)n1.
What is the InChIKey of N-[5-[4-[[(2-fluoro-6-methyl-3-pyridinyl)amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is JNTRGSNUHLLQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O/c1-14-5-12-18(21(24)26-14)25-13-15-6-8-16(9-7-15)19-3-2-4-20-27-23(29-30(19)20)28-22(31)17-10-11-17/h2-9,12,17,25H,10-11,13H2,1H3,(H,28,29,31).
What are the key properties of N-[5-[4-[[(2-fluoro-6-methyl-3-pyridinyl)amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[4-[[(2-fluoro-6-methyl-3-pyridinyl)amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 416.46 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[[(2-fluoro-6-methyl-3-pyridinyl)amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 58374602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).