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

C22H26FN7O2 — CID 121372618

IUPAC3-[2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-N-methyl-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCNC(=O)N1CCc2c(c(Nc3ccc(-c4cnn(C)c4)cc3F)nn2[C@H]2CCOC2)C1
InChIInChI=1S/C22H26FN7O2/c1-24-22(31)29-7-5-20-17(12-29)21(27-30(20)16-6-8-32-13-16)26-19-4-3-14(9-18(19)23)15-10-25-28(2)11-15/h3-4,9-11,16H,5-8,12-13H2,1-2H3,(H,24,31)(H,26,27)/t16-/m0/s1
InChIKeyOBNNRAFUPMUBQU-INIZCTEOSA-N
MW439.50 g/mol
LogP2.83
Rot. Bonds4

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

3-[2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-N-methyl-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 121372618) has the molecular formula C22H26FN7O2 and a molecular weight of 439.50 g/mol. Its IUPAC name is 3-[2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-N-methyl-1-[(3S)-oxolan-3-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-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID121372618
Molecular FormulaC22H26FN7O2
Molecular Weight439.50 g/mol
Exact Mass439.21
IUPAC Name3-[2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-N-methyl-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCNC(=O)N1CCc2c(c(Nc3ccc(-c4cnn(C)c4)cc3F)nn2[C@H]2CCOC2)C1
InChIInChI=1S/C22H26FN7O2/c1-24-22(31)29-7-5-20-17(12-29)21(27-30(20)16-6-8-32-13-16)26-19-4-3-14(9-18(19)23)15-10-25-28(2)11-15/h3-4,9-11,16H,5-8,12-13H2,1-2H3,(H,24,31)(H,26,27)/t16-/m0/s1
InChIKeyOBNNRAFUPMUBQU-INIZCTEOSA-N
XLogP2.83
TPSA89.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.50
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-N-methyl-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide with MolForge

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Related Compounds

1-[3-[[2-Fluoranyl-4-(1-Methylpyrazol-4-Yl)phenyl]amino]-1-[(3~{s})-Oxolan-3-Yl]-6,7-Dihydro-4~{h}-Pyrazolo[4,3-C]pyridin-5-Yl]ethanone
CID 121372887
1-{3-[6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-1-[(3S)-oxolan-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one
CID 121372939
1-{3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-1-[(3S)-oxolan-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one
CID 132451787
Pyrrolidinyl urea derivative 3
CID 71040977
Pyrrolidinyl urea derivative 5
CID 71041284
US10323022, Example 441
CID 71041443
US10323022, Example 511
CID 71041449
Pyrrolidinyl urea derivative 13
CID 71471488
Pyrrolidinyl urea derivative 11
CID 118128775
1-[(1S,3aR,9bS)-3-(2-methoxyethyl)-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-1-yl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea
CID 155551163
N-[(1R)-1-(2,5-difluorophenyl)ethyl]-3-[1-(oxolan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 168286829
1-(1-(6-(1-(2-ethoxyethyl)-1H-pyrazol-4-yl)pyridazin-3-yl)piperidin-4-yl)-6-fluoroindoline
CID 76311110

Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-N-methyl-1-[(3S)-oxolan-3-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-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (CID 121372618) is 3-[2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-N-methyl-1-[(3S)-oxolan-3-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-[(3S)-oxolan-3-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-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is CNC(=O)N1CCc2c(c(Nc3ccc(-c4cnn(C)c4)cc3F)nn2[C@H]2CCOC2)C1.
What is the InChIKey of 3-[2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-N-methyl-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is OBNNRAFUPMUBQU-INIZCTEOSA-N. The full InChI is InChI=1S/C22H26FN7O2/c1-24-22(31)29-7-5-20-17(12-29)21(27-30(20)16-6-8-32-13-16)26-19-4-3-14(9-18(19)23)15-10-25-28(2)11-15/h3-4,9-11,16H,5-8,12-13H2,1-2H3,(H,24,31)(H,26,27)/t16-/m0/s1.
What are the key properties of 3-[2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-N-methyl-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
3-[2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-N-methyl-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 439.50 g/mol, XLogP of 2.83, 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-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 121372618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).