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

C24H28FN7O — CID 138682819

IUPACN-ethyl-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
SMILESCCNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2nccc(C)c2F)CC1
InChIInChI=1S/C24H28FN7O/c1-4-26-21-11-20-19(13-28-21)23(16-12-29-31(3)14-16)30-32(20)17-5-7-18(8-6-17)33-24-22(25)15(2)9-10-27-24/h9-14,17-18H,4-8H2,1-3H3,(H,26,28)
InChIKeyFPFXKHUOJATUAN-UHFFFAOYSA-N
MW449.53 g/mol
LogP4.67
Rot. Bonds6

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

N-ethyl-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine (PubChem CID 138682819) has the molecular formula C24H28FN7O and a molecular weight of 449.53 g/mol. Its IUPAC name is N-ethyl-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine.

Molecular Properties

Compound NameN-ethyl-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
PubChem CID138682819
Molecular FormulaC24H28FN7O
Molecular Weight449.53 g/mol
Exact Mass449.23
IUPAC NameN-ethyl-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
SMILESCCNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2nccc(C)c2F)CC1
InChIInChI=1S/C24H28FN7O/c1-4-26-21-11-20-19(13-28-21)23(16-12-29-31(3)14-16)30-32(20)17-5-7-18(8-6-17)33-24-22(25)15(2)9-10-27-24/h9-14,17-18H,4-8H2,1-3H3,(H,26,28)
InChIKeyFPFXKHUOJATUAN-UHFFFAOYSA-N
XLogP4.67
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?
The IUPAC name of N-ethyl-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine (CID 138682819) is N-ethyl-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine.
What is the SMILES notation for N-ethyl-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?
The canonical SMILES for N-ethyl-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine is CCNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2nccc(C)c2F)CC1.
What is the InChIKey of N-ethyl-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?
The InChIKey is FPFXKHUOJATUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN7O/c1-4-26-21-11-20-19(13-28-21)23(16-12-29-31(3)14-16)30-32(20)17-5-7-18(8-6-17)33-24-22(25)15(2)9-10-27-24/h9-14,17-18H,4-8H2,1-3H3,(H,26,28).
What are the key properties of N-ethyl-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?
N-ethyl-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine has a molecular weight of 449.53 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine is sourced from PubChem (CID 138682819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).