3-[5-cyano-2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

C24H27FN8O2 — CID 121372616

IUPAC3-[5-cyano-2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCNC(=O)N1CCc2c(c(Nc3cc(C#N)c(-c4cnn(C)c4)cc3F)nn2C2CCOCC2)C1
InChIInChI=1S/C24H27FN8O2/c1-27-24(34)32-6-3-22-19(14-32)23(30-33(22)17-4-7-35-8-5-17)29-21-9-15(11-26)18(10-20(21)25)16-12-28-31(2)13-16/h9-10,12-13,17H,3-8,14H2,1-2H3,(H,27,34)(H,29,30)
InChIKeyLYBZIHSZOAZZAK-UHFFFAOYSA-N
MW478.53 g/mol
LogP3.09
Rot. Bonds4

About 3-[5-cyano-2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

3-[5-cyano-2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 121372616) has the molecular formula C24H27FN8O2 and a molecular weight of 478.53 g/mol. Its IUPAC name is 3-[5-cyano-2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-[5-cyano-2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID121372616
Molecular FormulaC24H27FN8O2
Molecular Weight478.53 g/mol
Exact Mass478.22
IUPAC Name3-[5-cyano-2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCNC(=O)N1CCc2c(c(Nc3cc(C#N)c(-c4cnn(C)c4)cc3F)nn2C2CCOCC2)C1
InChIInChI=1S/C24H27FN8O2/c1-27-24(34)32-6-3-22-19(14-32)23(30-33(22)17-4-7-35-8-5-17)29-21-9-15(11-26)18(10-20(21)25)16-12-28-31(2)13-16/h9-10,12-13,17H,3-8,14H2,1-2H3,(H,27,34)(H,29,30)
InChIKeyLYBZIHSZOAZZAK-UHFFFAOYSA-N
XLogP3.09
TPSA113.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.53
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[5-cyano-2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of 3-[5-cyano-2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (CID 121372616) is 3-[5-cyano-2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 3-[5-cyano-2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for 3-[5-cyano-2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is CNC(=O)N1CCc2c(c(Nc3cc(C#N)c(-c4cnn(C)c4)cc3F)nn2C2CCOCC2)C1.
What is the InChIKey of 3-[5-cyano-2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is LYBZIHSZOAZZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN8O2/c1-27-24(34)32-6-3-22-19(14-32)23(30-33(22)17-4-7-35-8-5-17)29-21-9-15(11-26)18(10-20(21)25)16-12-28-31(2)13-16/h9-10,12-13,17H,3-8,14H2,1-2H3,(H,27,34)(H,29,30).
What are the key properties of 3-[5-cyano-2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
3-[5-cyano-2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 478.53 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-cyano-2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 121372616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).