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

C23H27F2N7O2 — CID 121372613

IUPAC3-[2,3-difluoro-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(Nc3ccc(-c4cnn(C)c4)c(F)c3F)nn2C2CCOCC2)C1
InChIInChI=1S/C23H27F2N7O2/c1-26-23(33)31-8-5-19-17(13-31)22(29-32(19)15-6-9-34-10-7-15)28-18-4-3-16(20(24)21(18)25)14-11-27-30(2)12-14/h3-4,11-12,15H,5-10,13H2,1-2H3,(H,26,33)(H,28,29)
InChIKeyVLHPQBDFCZZBBO-UHFFFAOYSA-N
MW471.51 g/mol
LogP3.35
Rot. Bonds4

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

3-[2,3-difluoro-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 121372613) has the molecular formula C23H27F2N7O2 and a molecular weight of 471.51 g/mol. Its IUPAC name is 3-[2,3-difluoro-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-[2,3-difluoro-4-(1-methylpyrazol-4-yl)anilino]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID121372613
Molecular FormulaC23H27F2N7O2
Molecular Weight471.51 g/mol
Exact Mass471.22
IUPAC Name3-[2,3-difluoro-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(Nc3ccc(-c4cnn(C)c4)c(F)c3F)nn2C2CCOCC2)C1
InChIInChI=1S/C23H27F2N7O2/c1-26-23(33)31-8-5-19-17(13-31)22(29-32(19)15-6-9-34-10-7-15)28-18-4-3-16(20(24)21(18)25)14-11-27-30(2)12-14/h3-4,11-12,15H,5-10,13H2,1-2H3,(H,26,33)(H,28,29)
InChIKeyVLHPQBDFCZZBBO-UHFFFAOYSA-N
XLogP3.35
TPSA89.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.51
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2,3-difluoro-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-[2,3-difluoro-4-(1-methylpyrazol-4-yl)anilino]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (CID 121372613) is 3-[2,3-difluoro-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-[2,3-difluoro-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-[2,3-difluoro-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(Nc3ccc(-c4cnn(C)c4)c(F)c3F)nn2C2CCOCC2)C1.
What is the InChIKey of 3-[2,3-difluoro-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 VLHPQBDFCZZBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2N7O2/c1-26-23(33)31-8-5-19-17(13-31)22(29-32(19)15-6-9-34-10-7-15)28-18-4-3-16(20(24)21(18)25)14-11-27-30(2)12-14/h3-4,11-12,15H,5-10,13H2,1-2H3,(H,26,33)(H,28,29).
What are the key properties of 3-[2,3-difluoro-4-(1-methylpyrazol-4-yl)anilino]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
3-[2,3-difluoro-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 471.51 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,3-difluoro-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 121372613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).