1-[(2,5-difluorophenyl)methyl]-N-(6-fluoro-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-amine

C18H12F3N5 — CID 71246171

IUPAC1-[(2,5-difluorophenyl)methyl]-N-(6-fluoro-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-amine
SMILESFc1ccc(F)c(Cn2ncc3cnc(Nc4cccc(F)n4)cc32)c1
InChIInChI=1S/C18H12F3N5/c19-13-4-5-14(20)11(6-13)10-26-15-7-18(22-8-12(15)9-23-26)25-17-3-1-2-16(21)24-17/h1-9H,10H2,(H,22,24,25)
InChIKeyBZGITUOCJCYINE-UHFFFAOYSA-N
MW355.32 g/mol
LogP4.04
Rot. Bonds4

About 1-[(2,5-difluorophenyl)methyl]-N-(6-fluoro-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-amine

1-[(2,5-difluorophenyl)methyl]-N-(6-fluoro-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-amine (PubChem CID 71246171) has the molecular formula C18H12F3N5 and a molecular weight of 355.32 g/mol. Its IUPAC name is 1-[(2,5-difluorophenyl)methyl]-N-(6-fluoro-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-amine.

Molecular Properties

Compound Name1-[(2,5-difluorophenyl)methyl]-N-(6-fluoro-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-amine
PubChem CID71246171
Molecular FormulaC18H12F3N5
Molecular Weight355.32 g/mol
Exact Mass355.10
IUPAC Name1-[(2,5-difluorophenyl)methyl]-N-(6-fluoro-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-amine
SMILESFc1ccc(F)c(Cn2ncc3cnc(Nc4cccc(F)n4)cc32)c1
InChIInChI=1S/C18H12F3N5/c19-13-4-5-14(20)11(6-13)10-26-15-7-18(22-8-12(15)9-23-26)25-17-3-1-2-16(21)24-17/h1-9H,10H2,(H,22,24,25)
InChIKeyBZGITUOCJCYINE-UHFFFAOYSA-N
XLogP4.04
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(2,5-difluorophenyl)methyl]-N-pyridin-3-ylpyrazolo[4,3-c]pyridin-6-amine
CID 71246344
N-[1-[(2,5-difluorophenyl)methyl]pyrazolo[4,3-c]pyridin-6-yl]-3-methyl-1,2-thiazol-5-amine
CID 71246586
3-[[1-[(2,5-difluorophenyl)methyl]pyrazolo[4,3-c]pyridin-6-yl]amino]pyrazine-2-carboxamide
CID 123966097
3-[[1-[(2,5-difluorophenyl)methyl]pyrazolo[4,3-c]pyridin-6-yl]amino]pyridine-4-carbonitrile
CID 123416065
6-[[1-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]pyridin-6-yl]amino]-N,N-dimethylpyridine-2-carboxamide
CID 71246273
1-[(2-fluorophenyl)methyl]-6-propylpyrazolo[4,5-c]pyridine
CID 123808215
1-(2,3-dihydro-1H-isoindol-4-ylmethyl)-6-fluoro-N-(6-fluoro-2-pyridinyl)indazole-5-sulfonamide
CID 74221455
1-[(2,4-difluorophenyl)methyl]indazol-6-amine
CID 62197807
1-[(3-chlorophenyl)methyl]-6-fluoroindazole
CID 141202076
1-[(2-amino-2,3-dihydro-1H-inden-4-yl)methyl]-6-fluoro-N-(6-fluoro-2-pyridinyl)indazole-5-sulfonamide
CID 74221387
1-benzyl-6-fluoroindazole
CID 83414179
2-(2,5-diazabicyclo[2.2.2]octan-2-yl)-1-[3-[[1-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]pyridin-6-yl]amino]pyrazol-1-yl]ethanone
CID 123230130

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-difluorophenyl)methyl]-N-(6-fluoro-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-amine?
The IUPAC name of 1-[(2,5-difluorophenyl)methyl]-N-(6-fluoro-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-amine (CID 71246171) is 1-[(2,5-difluorophenyl)methyl]-N-(6-fluoro-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-amine.
What is the SMILES notation for 1-[(2,5-difluorophenyl)methyl]-N-(6-fluoro-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-amine?
The canonical SMILES for 1-[(2,5-difluorophenyl)methyl]-N-(6-fluoro-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-amine is Fc1ccc(F)c(Cn2ncc3cnc(Nc4cccc(F)n4)cc32)c1.
What is the InChIKey of 1-[(2,5-difluorophenyl)methyl]-N-(6-fluoro-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-amine?
The InChIKey is BZGITUOCJCYINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N5/c19-13-4-5-14(20)11(6-13)10-26-15-7-18(22-8-12(15)9-23-26)25-17-3-1-2-16(21)24-17/h1-9H,10H2,(H,22,24,25).
What are the key properties of 1-[(2,5-difluorophenyl)methyl]-N-(6-fluoro-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-amine?
1-[(2,5-difluorophenyl)methyl]-N-(6-fluoro-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-amine has a molecular weight of 355.32 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-difluorophenyl)methyl]-N-(6-fluoro-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-amine is sourced from PubChem (CID 71246171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).