1-[4-[(2-fluoro-3-pyridinyl)oxy]cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine

C22H24FN7O — CID 138715142

IUPAC1-[4-[(2-fluoro-3-pyridinyl)oxy]cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
SMILESCNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2cccnc2F)CC1
InChIInChI=1S/C22H24FN7O/c1-24-20-10-18-17(12-26-20)21(14-11-27-29(2)13-14)28-30(18)15-5-7-16(8-6-15)31-19-4-3-9-25-22(19)23/h3-4,9-13,15-16H,5-8H2,1-2H3,(H,24,26)
InChIKeyJUBSCITZDJUJAA-UHFFFAOYSA-N
MW421.48 g/mol
LogP3.97
Rot. Bonds5

About 1-[4-[(2-fluoro-3-pyridinyl)oxy]cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine

1-[4-[(2-fluoro-3-pyridinyl)oxy]cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine (PubChem CID 138715142) has the molecular formula C22H24FN7O and a molecular weight of 421.48 g/mol. Its IUPAC name is 1-[4-[(2-fluoro-3-pyridinyl)oxy]cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine.

Molecular Properties

Compound Name1-[4-[(2-fluoro-3-pyridinyl)oxy]cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
PubChem CID138715142
Molecular FormulaC22H24FN7O
Molecular Weight421.48 g/mol
Exact Mass421.20
IUPAC Name1-[4-[(2-fluoro-3-pyridinyl)oxy]cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
SMILESCNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2cccnc2F)CC1
InChIInChI=1S/C22H24FN7O/c1-24-20-10-18-17(12-26-20)21(14-11-27-29(2)13-14)28-30(18)15-5-7-16(8-6-15)31-19-4-3-9-25-22(19)23/h3-4,9-13,15-16H,5-8H2,1-2H3,(H,24,26)
InChIKeyJUBSCITZDJUJAA-UHFFFAOYSA-N
XLogP3.97
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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 1-[4-[(2-fluoro-3-pyridinyl)oxy]cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?
The IUPAC name of 1-[4-[(2-fluoro-3-pyridinyl)oxy]cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine (CID 138715142) is 1-[4-[(2-fluoro-3-pyridinyl)oxy]cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine.
What is the SMILES notation for 1-[4-[(2-fluoro-3-pyridinyl)oxy]cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?
The canonical SMILES for 1-[4-[(2-fluoro-3-pyridinyl)oxy]cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine is CNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2cccnc2F)CC1.
What is the InChIKey of 1-[4-[(2-fluoro-3-pyridinyl)oxy]cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?
The InChIKey is JUBSCITZDJUJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN7O/c1-24-20-10-18-17(12-26-20)21(14-11-27-29(2)13-14)28-30(18)15-5-7-16(8-6-15)31-19-4-3-9-25-22(19)23/h3-4,9-13,15-16H,5-8H2,1-2H3,(H,24,26).
What are the key properties of 1-[4-[(2-fluoro-3-pyridinyl)oxy]cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?
1-[4-[(2-fluoro-3-pyridinyl)oxy]cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine has a molecular weight of 421.48 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-fluoro-3-pyridinyl)oxy]cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine is sourced from PubChem (CID 138715142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).