5-(2-fluorobenzoyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

C24H23FN4O2 — CID 93003923

IUPAC5-(2-fluorobenzoyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESO=C(N[C@H]1CCCc2ccccc21)c1n[nH]c2c1CN(C(=O)c1ccccc1F)CC2
InChIInChI=1S/C24H23FN4O2/c25-19-10-4-3-9-17(19)24(31)29-13-12-21-18(14-29)22(28-27-21)23(30)26-20-11-5-7-15-6-1-2-8-16(15)20/h1-4,6,8-10,20H,5,7,11-14H2,(H,26,30)(H,27,28)/t20-/m0/s1
InChIKeyDNPUILFRAJVQAR-FQEVSTJZSA-N
MW418.47 g/mol
LogP3.55
Rot. Bonds3

About 5-(2-fluorobenzoyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

5-(2-fluorobenzoyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 93003923) has the molecular formula C24H23FN4O2 and a molecular weight of 418.47 g/mol. Its IUPAC name is 5-(2-fluorobenzoyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-fluorobenzoyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID93003923
Molecular FormulaC24H23FN4O2
Molecular Weight418.47 g/mol
Exact Mass418.18
IUPAC Name5-(2-fluorobenzoyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESO=C(N[C@H]1CCCc2ccccc21)c1n[nH]c2c1CN(C(=O)c1ccccc1F)CC2
InChIInChI=1S/C24H23FN4O2/c25-19-10-4-3-9-17(19)24(31)29-13-12-21-18(14-29)22(28-27-21)23(30)26-20-11-5-7-15-6-1-2-8-16(15)20/h1-4,6,8-10,20H,5,7,11-14H2,(H,26,30)(H,27,28)/t20-/m0/s1
InChIKeyDNPUILFRAJVQAR-FQEVSTJZSA-N
XLogP3.55
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 126776181
5-(2-fluorobenzoyl)-N-[(3-methylphenyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 42873589
N-cyclopropyl-5-[2-(2-fluorophenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 42874574
4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3H-phthalazine-1-carboxamide
CID 2374073
4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-phthalazine-1-carboxamide
CID 5094185
2,3,4,5,6-pentafluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 71474180
5-(3,5-difluorobenzoyl)-N-(1-methylpiperidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 91914468
2,5-difluoro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 27184099
2-fluoro-N-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]benzamide
CID 9216438
N-cyclohexyl-5-(1H-indole-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 142576774
N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-1-carboxamide
CID 54412767
2-(2-fluorophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2406192

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorobenzoyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 5-(2-fluorobenzoyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (CID 93003923) is 5-(2-fluorobenzoyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-(2-fluorobenzoyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 5-(2-fluorobenzoyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is O=C(N[C@H]1CCCc2ccccc21)c1n[nH]c2c1CN(C(=O)c1ccccc1F)CC2.
What is the InChIKey of 5-(2-fluorobenzoyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is DNPUILFRAJVQAR-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H23FN4O2/c25-19-10-4-3-9-17(19)24(31)29-13-12-21-18(14-29)22(28-27-21)23(30)26-20-11-5-7-15-6-1-2-8-16(15)20/h1-4,6,8-10,20H,5,7,11-14H2,(H,26,30)(H,27,28)/t20-/m0/s1.
What are the key properties of 5-(2-fluorobenzoyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
5-(2-fluorobenzoyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 418.47 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorobenzoyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 93003923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).