1-(4-fluorophenyl)-N-[1-[3-[[2-(methylamino)-2-oxoethyl]carbamoyl]phenyl]cyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide

C26H23FN6O3 — CID 52917352

IUPAC1-(4-fluorophenyl)-N-[1-[3-[[2-(methylamino)-2-oxoethyl]carbamoyl]phenyl]cyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCNC(=O)CNC(=O)c1cccc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C26H23FN6O3/c1-28-23(34)15-30-24(35)16-3-2-4-17(11-16)26(9-10-26)32-25(36)21-12-29-14-22-20(21)13-31-33(22)19-7-5-18(27)6-8-19/h2-8,11-14H,9-10,15H2,1H3,(H,28,34)(H,30,35)(H,32,36)
InChIKeyXFACZIGBXDLESL-UHFFFAOYSA-N
MW486.51 g/mol
LogP2.45
Rot. Bonds7

About 1-(4-fluorophenyl)-N-[1-[3-[[2-(methylamino)-2-oxoethyl]carbamoyl]phenyl]cyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide

1-(4-fluorophenyl)-N-[1-[3-[[2-(methylamino)-2-oxoethyl]carbamoyl]phenyl]cyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 52917352) has the molecular formula C26H23FN6O3 and a molecular weight of 486.51 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[1-[3-[[2-(methylamino)-2-oxoethyl]carbamoyl]phenyl]cyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[1-[3-[[2-(methylamino)-2-oxoethyl]carbamoyl]phenyl]cyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide
PubChem CID52917352
Molecular FormulaC26H23FN6O3
Molecular Weight486.51 g/mol
Exact Mass486.18
IUPAC Name1-(4-fluorophenyl)-N-[1-[3-[[2-(methylamino)-2-oxoethyl]carbamoyl]phenyl]cyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCNC(=O)CNC(=O)c1cccc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C26H23FN6O3/c1-28-23(34)15-30-24(35)16-3-2-4-17(11-16)26(9-10-26)32-25(36)21-12-29-14-22-20(21)13-31-33(22)19-7-5-18(27)6-8-19/h2-8,11-14H,9-10,15H2,1H3,(H,28,34)(H,30,35)(H,32,36)
InChIKeyXFACZIGBXDLESL-UHFFFAOYSA-N
XLogP2.45
TPSA118.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.51
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-{[(1r,2s)-2-Fluoro-2-Methylcyclopentyl]amino}pyrrolo[1,2-B]pyridazine-3-Carboxamide
CID 68291752
4-{[(1r,3s)-3-Amino-2,2,3-Trimethylcyclopentyl]amino}-6-Phenylpyrrolo[1,2-B]pyridazine-3-Carboxamide
CID 117769575
4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 57382333
Factor D inhibitor 6
CID 68283608
4-[4-fluoro-3-(2-pyridin-4-ylethylcarbamoyl)phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 118888923
4-(4-fluoro-3-((pyridin-2-ylmethyl)carbamoyl)phenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 118888941
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(2-pyridyl)-1H-indol-3-yl]ethane-1,2-dione
CID 507812
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(3-pyridyl)-1H-indol-3-yl]ethane-1,2-dione
CID 507824
3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide
CID 507868
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(1H-pyrazol-3-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 5280160
1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione
CID 5280199
3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxamide
CID 15958784

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[1-[3-[[2-(methylamino)-2-oxoethyl]carbamoyl]phenyl]cyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[1-[3-[[2-(methylamino)-2-oxoethyl]carbamoyl]phenyl]cyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide (CID 52917352) is 1-(4-fluorophenyl)-N-[1-[3-[[2-(methylamino)-2-oxoethyl]carbamoyl]phenyl]cyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[1-[3-[[2-(methylamino)-2-oxoethyl]carbamoyl]phenyl]cyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[1-[3-[[2-(methylamino)-2-oxoethyl]carbamoyl]phenyl]cyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide is CNC(=O)CNC(=O)c1cccc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CC2)c1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[1-[3-[[2-(methylamino)-2-oxoethyl]carbamoyl]phenyl]cyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The InChIKey is XFACZIGBXDLESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN6O3/c1-28-23(34)15-30-24(35)16-3-2-4-17(11-16)26(9-10-26)32-25(36)21-12-29-14-22-20(21)13-31-33(22)19-7-5-18(27)6-8-19/h2-8,11-14H,9-10,15H2,1H3,(H,28,34)(H,30,35)(H,32,36).
What are the key properties of 1-(4-fluorophenyl)-N-[1-[3-[[2-(methylamino)-2-oxoethyl]carbamoyl]phenyl]cyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
1-(4-fluorophenyl)-N-[1-[3-[[2-(methylamino)-2-oxoethyl]carbamoyl]phenyl]cyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 486.51 g/mol, XLogP of 2.45, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[1-[3-[[2-(methylamino)-2-oxoethyl]carbamoyl]phenyl]cyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 52917352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).