4-[(2-fluorophenyl)methyl]-N-(1-methyl-1,2,4-triazol-3-yl)-1H-pyrazolo[4,3-c]pyridin-6-amine

C16H14FN7 — CID 123466176

IUPAC4-[(2-fluorophenyl)methyl]-N-(1-methyl-1,2,4-triazol-3-yl)-1H-pyrazolo[4,3-c]pyridin-6-amine
SMILESCn1cnc(Nc2cc3[nH]ncc3c(Cc3ccccc3F)n2)n1
InChIInChI=1S/C16H14FN7/c1-24-9-18-16(23-24)21-15-7-14-11(8-19-22-14)13(20-15)6-10-4-2-3-5-12(10)17/h2-5,7-9H,6H2,1H3,(H,19,22)(H,20,21,23)
InChIKeyDJYPUSALABUKGZ-UHFFFAOYSA-N
MW323.34 g/mol
LogP2.56
Rot. Bonds4

About 4-[(2-fluorophenyl)methyl]-N-(1-methyl-1,2,4-triazol-3-yl)-1H-pyrazolo[4,3-c]pyridin-6-amine

4-[(2-fluorophenyl)methyl]-N-(1-methyl-1,2,4-triazol-3-yl)-1H-pyrazolo[4,3-c]pyridin-6-amine (PubChem CID 123466176) has the molecular formula C16H14FN7 and a molecular weight of 323.34 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methyl]-N-(1-methyl-1,2,4-triazol-3-yl)-1H-pyrazolo[4,3-c]pyridin-6-amine.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methyl]-N-(1-methyl-1,2,4-triazol-3-yl)-1H-pyrazolo[4,3-c]pyridin-6-amine
PubChem CID123466176
Molecular FormulaC16H14FN7
Molecular Weight323.34 g/mol
Exact Mass323.13
IUPAC Name4-[(2-fluorophenyl)methyl]-N-(1-methyl-1,2,4-triazol-3-yl)-1H-pyrazolo[4,3-c]pyridin-6-amine
SMILESCn1cnc(Nc2cc3[nH]ncc3c(Cc3ccccc3F)n2)n1
InChIInChI=1S/C16H14FN7/c1-24-9-18-16(23-24)21-15-7-14-11(8-19-22-14)13(20-15)6-10-4-2-3-5-12(10)17/h2-5,7-9H,6H2,1H3,(H,19,22)(H,20,21,23)
InChIKeyDJYPUSALABUKGZ-UHFFFAOYSA-N
XLogP2.56
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[[4-[(2-fluorophenyl)methyl]-1H-pyrazolo[4,3-c]pyridin-6-yl]amino]pyrazol-1-yl]-N,N-dimethylacetamide
CID 123667405
N-[6-(2,2-difluoroethoxy)-2-pyridinyl]-4-[(2-fluorophenyl)methyl]-1H-pyrazolo[4,3-c]pyridin-6-amine
CID 123894948
4-N-[(2-fluorophenyl)methyl]-5-methanimidoyl-2-N-(1-methyl-1,2,4-triazol-3-yl)pyridine-2,4-diamine;molecular hydrogen
CID 144519965
N-(1-methylpyrazol-3-yl)-1H-pyrazolo[4,3-c]pyridin-6-amine
CID 141359494
4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3,5-difluorobenzamide
CID 160952338
tert-butyl 3-[[4-[[4-[(2-fluorophenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]pyrazol-1-yl]methyl]pyrrolidine-1-carboxylate
CID 123469510
1-[[2-[3-chloro-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoropyrimidin-4-yl]amino]-2-methylpropan-2-ol
CID 142611039
2-(2-fluorophenyl)-N-(1-methylpyrazol-3-yl)acetamide
CID 16622031
5-[(2-fluorophenyl)methylamino]-2H-1,2,4-triazin-3-one
CID 20995217
7-(2-fluorophenoxy)-3-(1H-indazol-4-ylmethyl)-5-methylpyridazino[4,5-b]indol-4-one
CID 162683809
5-N-(2-ethoxyphenyl)-3-N-[(2-fluorophenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112949798
5-amino-1-ethyl-3-[(2-fluorophenyl)methyl]pyrazole-4-carbonitrile
CID 100761997

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)methyl]-N-(1-methyl-1,2,4-triazol-3-yl)-1H-pyrazolo[4,3-c]pyridin-6-amine?
The IUPAC name of 4-[(2-fluorophenyl)methyl]-N-(1-methyl-1,2,4-triazol-3-yl)-1H-pyrazolo[4,3-c]pyridin-6-amine (CID 123466176) is 4-[(2-fluorophenyl)methyl]-N-(1-methyl-1,2,4-triazol-3-yl)-1H-pyrazolo[4,3-c]pyridin-6-amine.
What is the SMILES notation for 4-[(2-fluorophenyl)methyl]-N-(1-methyl-1,2,4-triazol-3-yl)-1H-pyrazolo[4,3-c]pyridin-6-amine?
The canonical SMILES for 4-[(2-fluorophenyl)methyl]-N-(1-methyl-1,2,4-triazol-3-yl)-1H-pyrazolo[4,3-c]pyridin-6-amine is Cn1cnc(Nc2cc3[nH]ncc3c(Cc3ccccc3F)n2)n1.
What is the InChIKey of 4-[(2-fluorophenyl)methyl]-N-(1-methyl-1,2,4-triazol-3-yl)-1H-pyrazolo[4,3-c]pyridin-6-amine?
The InChIKey is DJYPUSALABUKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN7/c1-24-9-18-16(23-24)21-15-7-14-11(8-19-22-14)13(20-15)6-10-4-2-3-5-12(10)17/h2-5,7-9H,6H2,1H3,(H,19,22)(H,20,21,23).
What are the key properties of 4-[(2-fluorophenyl)methyl]-N-(1-methyl-1,2,4-triazol-3-yl)-1H-pyrazolo[4,3-c]pyridin-6-amine?
4-[(2-fluorophenyl)methyl]-N-(1-methyl-1,2,4-triazol-3-yl)-1H-pyrazolo[4,3-c]pyridin-6-amine has a molecular weight of 323.34 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)methyl]-N-(1-methyl-1,2,4-triazol-3-yl)-1H-pyrazolo[4,3-c]pyridin-6-amine is sourced from PubChem (CID 123466176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).