3-[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

C23H28FN7O2 — CID 121373436

IUPAC3-[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(Nc3ccc(-c4cnn(C)c4)cc3F)nn2C2CCOCC2)C1
InChIInChI=1S/C23H28FN7O2/c1-25-23(32)30-8-5-21-18(14-30)22(28-31(21)17-6-9-33-10-7-17)27-20-4-3-15(11-19(20)24)16-12-26-29(2)13-16/h3-4,11-13,17H,5-10,14H2,1-2H3,(H,25,32)(H,27,28)
InChIKeyCCJPPLRYQNBBEX-UHFFFAOYSA-N
MW453.52 g/mol
LogP3.22
Rot. Bonds4

About 3-[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-[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 121373436) has the molecular formula C23H28FN7O2 and a molecular weight of 453.52 g/mol. Its IUPAC name is 3-[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-[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 CID121373436
Molecular FormulaC23H28FN7O2
Molecular Weight453.52 g/mol
Exact Mass453.23
IUPAC Name3-[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(Nc3ccc(-c4cnn(C)c4)cc3F)nn2C2CCOCC2)C1
InChIInChI=1S/C23H28FN7O2/c1-25-23(32)30-8-5-21-18(14-30)22(28-31(21)17-6-9-33-10-7-17)27-20-4-3-15(11-19(20)24)16-12-26-29(2)13-16/h3-4,11-13,17H,5-10,14H2,1-2H3,(H,25,32)(H,27,28)
InChIKeyCCJPPLRYQNBBEX-UHFFFAOYSA-N
XLogP3.22
TPSA89.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[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-[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 121373436) is 3-[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-[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-[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(Nc3ccc(-c4cnn(C)c4)cc3F)nn2C2CCOCC2)C1.
What is the InChIKey of 3-[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 CCJPPLRYQNBBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN7O2/c1-25-23(32)30-8-5-21-18(14-30)22(28-31(21)17-6-9-33-10-7-17)27-20-4-3-15(11-19(20)24)16-12-26-29(2)13-16/h3-4,11-13,17H,5-10,14H2,1-2H3,(H,25,32)(H,27,28).
What are the key properties of 3-[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-[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 453.52 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[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 121373436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).