1-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]azetidin-3-amine

C21H19FN6O — CID 162646424

IUPAC1-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]azetidin-3-amine
SMILESCOc1cccc(F)c1-c1cc2c(cn1)cnn2-c1cccc(N2CC(N)C2)n1
InChIInChI=1S/C21H19FN6O/c1-29-18-5-2-4-15(22)21(18)16-8-17-13(9-24-16)10-25-28(17)20-7-3-6-19(26-20)27-11-14(23)12-27/h2-10,14H,11-12,23H2,1H3
InChIKeyWJFBMSKOWHZHEN-UHFFFAOYSA-N
MW390.42 g/mol
LogP2.78
Rot. Bonds4

About 1-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]azetidin-3-amine

1-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]azetidin-3-amine (PubChem CID 162646424) has the molecular formula C21H19FN6O and a molecular weight of 390.42 g/mol. Its IUPAC name is 1-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]azetidin-3-amine.

Molecular Properties

Compound Name1-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]azetidin-3-amine
PubChem CID162646424
Molecular FormulaC21H19FN6O
Molecular Weight390.42 g/mol
Exact Mass390.16
IUPAC Name1-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]azetidin-3-amine
SMILESCOc1cccc(F)c1-c1cc2c(cn1)cnn2-c1cccc(N2CC(N)C2)n1
InChIInChI=1S/C21H19FN6O/c1-29-18-5-2-4-15(22)21(18)16-8-17-13(9-24-16)10-25-28(17)20-7-3-6-19(26-20)27-11-14(23)12-27/h2-10,14H,11-12,23H2,1H3
InChIKeyWJFBMSKOWHZHEN-UHFFFAOYSA-N
XLogP2.78
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3R,4S)-1-[6-(6-methoxypyridin-3-yl)pyrimidin-4-yl]-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine
CID 24180585
Pyrazolopyridazine 1
CID 6539361
Pyrazolo[1,5-b]pyridazine deriv. 43
CID 6539385
Pyrazolo[1,5-b]pyridazine deriv. 69
CID 6539411
Pyrazolo[1,5-b]pyridazine deriv. 70
CID 6539412
N-(3-methoxyphenyl)-1-methyl-6-(4-methylpiperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 16456451
N-(2,4-difluorophenyl)-3-(2-methoxy-5-(3-(4-methylpiperazin-1-yl)prop-1-ynyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 11634558
7-(4-((1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-fluorophenyl)-3-(3-methoxyphenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 46879452
7-(2-Methoxyphenyl)-N-(4-(4-methylpiperazin-1-yl)phenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 54577892
[7-(2-Methoxy-phenyl)-pyrrolo[2,1-f][1,2,4]triazin-2-yl]-[3-(4-methyl-piperazin-1-yl)-phenyl]-amine
CID 57402937
N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 57402938
4-(Azetidin-1-yl)-5-[5-(2-fluoro-4-methoxyphenyl)-1-methylpyrazol-4-yl]-7-methylimidazo[5,1-f][1,2,4]triazine
CID 68181996

Frequently Asked Questions

What is the IUPAC name of 1-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]azetidin-3-amine?
The IUPAC name of 1-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]azetidin-3-amine (CID 162646424) is 1-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]azetidin-3-amine.
What is the SMILES notation for 1-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]azetidin-3-amine?
The canonical SMILES for 1-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]azetidin-3-amine is COc1cccc(F)c1-c1cc2c(cn1)cnn2-c1cccc(N2CC(N)C2)n1.
What is the InChIKey of 1-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]azetidin-3-amine?
The InChIKey is WJFBMSKOWHZHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6O/c1-29-18-5-2-4-15(22)21(18)16-8-17-13(9-24-16)10-25-28(17)20-7-3-6-19(26-20)27-11-14(23)12-27/h2-10,14H,11-12,23H2,1H3.
What are the key properties of 1-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]azetidin-3-amine?
1-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]azetidin-3-amine has a molecular weight of 390.42 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]azetidin-3-amine is sourced from PubChem (CID 162646424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).