3-(3,4-dihydropyridin-4-yl)-N-[1-[1-(2-fluorophenyl)-2-oxopropyl]piperidin-3-yl]-2H-indazole-5-carboxamide

C27H28FN5O2 — CID 123527837

IUPAC3-(3,4-dihydropyridin-4-yl)-N-[1-[1-(2-fluorophenyl)-2-oxopropyl]piperidin-3-yl]-2H-indazole-5-carboxamide
SMILESCC(=O)C(c1ccccc1F)N1CCCC(NC(=O)c2ccc3n[nH]c(C4C=CN=CC4)c3c2)C1
InChIInChI=1S/C27H28FN5O2/c1-17(34)26(21-6-2-3-7-23(21)28)33-14-4-5-20(16-33)30-27(35)19-8-9-24-22(15-19)25(32-31-24)18-10-12-29-13-11-18/h2-3,6-10,12-13,15,18,20,26H,4-5,11,14,16H2,1H3,(H,30,35)(H,31,32)
InChIKeyCTTYLFNURWJGJS-UHFFFAOYSA-N
MW473.55 g/mol
LogP4.30
Rot. Bonds6

About 3-(3,4-dihydropyridin-4-yl)-N-[1-[1-(2-fluorophenyl)-2-oxopropyl]piperidin-3-yl]-2H-indazole-5-carboxamide

3-(3,4-dihydropyridin-4-yl)-N-[1-[1-(2-fluorophenyl)-2-oxopropyl]piperidin-3-yl]-2H-indazole-5-carboxamide (PubChem CID 123527837) has the molecular formula C27H28FN5O2 and a molecular weight of 473.55 g/mol. Its IUPAC name is 3-(3,4-dihydropyridin-4-yl)-N-[1-[1-(2-fluorophenyl)-2-oxopropyl]piperidin-3-yl]-2H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-(3,4-dihydropyridin-4-yl)-N-[1-[1-(2-fluorophenyl)-2-oxopropyl]piperidin-3-yl]-2H-indazole-5-carboxamide
PubChem CID123527837
Molecular FormulaC27H28FN5O2
Molecular Weight473.55 g/mol
Exact Mass473.22
IUPAC Name3-(3,4-dihydropyridin-4-yl)-N-[1-[1-(2-fluorophenyl)-2-oxopropyl]piperidin-3-yl]-2H-indazole-5-carboxamide
SMILESCC(=O)C(c1ccccc1F)N1CCCC(NC(=O)c2ccc3n[nH]c(C4C=CN=CC4)c3c2)C1
InChIInChI=1S/C27H28FN5O2/c1-17(34)26(21-6-2-3-7-23(21)28)33-14-4-5-20(16-33)30-27(35)19-8-9-24-22(15-19)25(32-31-24)18-10-12-29-13-11-18/h2-3,6-10,12-13,15,18,20,26H,4-5,11,14,16H2,1H3,(H,30,35)(H,31,32)
InChIKeyCTTYLFNURWJGJS-UHFFFAOYSA-N
XLogP4.30
TPSA90.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R)-1-[1-(2,6-difluorophenyl)-2-(dimethylamino)-2-oxoethyl]piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
CID 70652586
N-[(3R)-1-[2-(dimethylamino)-1-(2-fluorophenyl)-2-oxoethyl]piperidin-3-yl]-3-pyridin-4-yl-1-tritylindazole-5-carboxamide
CID 67996347
3-fluoro-4-methyl-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide
CID 99740769
3-(5,6-dihydroimidazo[1,2-a]pyridin-6-yl)-N-[4-fluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-2H-indazole-5-carboxamide
CID 123338933
N-[(3R,6S)-6-(cyclopentylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(3,5-dimethylpyrrol-3-yl)-2H-indazole-5-carboxamide
CID 70652802
4-bromo-3-fluoro-N-(1-methylpiperidin-3-yl)benzamide
CID 47422175
methyl (2S)-2-(2-fluorophenyl)-2-[(3S)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetate
CID 97101368
3-cyclopentyl-2H-indazole-5-carboxylic acid
CID 105487831
3-(2-ethyl-4-pyridinyl)-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide
CID 56591375
N-cyclohexyl-2-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 110765621
N-[(3S)-1-methylpiperidin-3-yl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 95976740
4-chloro-N-(1-ethylsulfonylpiperidin-3-yl)-3-fluorobenzamide
CID 146336705

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydropyridin-4-yl)-N-[1-[1-(2-fluorophenyl)-2-oxopropyl]piperidin-3-yl]-2H-indazole-5-carboxamide?
The IUPAC name of 3-(3,4-dihydropyridin-4-yl)-N-[1-[1-(2-fluorophenyl)-2-oxopropyl]piperidin-3-yl]-2H-indazole-5-carboxamide (CID 123527837) is 3-(3,4-dihydropyridin-4-yl)-N-[1-[1-(2-fluorophenyl)-2-oxopropyl]piperidin-3-yl]-2H-indazole-5-carboxamide.
What is the SMILES notation for 3-(3,4-dihydropyridin-4-yl)-N-[1-[1-(2-fluorophenyl)-2-oxopropyl]piperidin-3-yl]-2H-indazole-5-carboxamide?
The canonical SMILES for 3-(3,4-dihydropyridin-4-yl)-N-[1-[1-(2-fluorophenyl)-2-oxopropyl]piperidin-3-yl]-2H-indazole-5-carboxamide is CC(=O)C(c1ccccc1F)N1CCCC(NC(=O)c2ccc3n[nH]c(C4C=CN=CC4)c3c2)C1.
What is the InChIKey of 3-(3,4-dihydropyridin-4-yl)-N-[1-[1-(2-fluorophenyl)-2-oxopropyl]piperidin-3-yl]-2H-indazole-5-carboxamide?
The InChIKey is CTTYLFNURWJGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN5O2/c1-17(34)26(21-6-2-3-7-23(21)28)33-14-4-5-20(16-33)30-27(35)19-8-9-24-22(15-19)25(32-31-24)18-10-12-29-13-11-18/h2-3,6-10,12-13,15,18,20,26H,4-5,11,14,16H2,1H3,(H,30,35)(H,31,32).
What are the key properties of 3-(3,4-dihydropyridin-4-yl)-N-[1-[1-(2-fluorophenyl)-2-oxopropyl]piperidin-3-yl]-2H-indazole-5-carboxamide?
3-(3,4-dihydropyridin-4-yl)-N-[1-[1-(2-fluorophenyl)-2-oxopropyl]piperidin-3-yl]-2H-indazole-5-carboxamide has a molecular weight of 473.55 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydropyridin-4-yl)-N-[1-[1-(2-fluorophenyl)-2-oxopropyl]piperidin-3-yl]-2H-indazole-5-carboxamide is sourced from PubChem (CID 123527837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).