6-fluoro-N-[4-(1-methylpiperidin-4-yl)phenyl]-5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide

C24H33FN6O — CID 156600422

IUPAC6-fluoro-N-[4-(1-methylpiperidin-4-yl)phenyl]-5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
SMILESCN1CCC(c2ccc(NC(=O)C3NNC4CC(F)C(c5cnn(C)c5)CC43)cc2)CC1
InChIInChI=1S/C24H33FN6O/c1-30-9-7-16(8-10-30)15-3-5-18(6-4-15)27-24(32)23-20-11-19(17-13-26-31(2)14-17)21(25)12-22(20)28-29-23/h3-6,13-14,16,19-23,28-29H,7-12H2,1-2H3,(H,27,32)
InChIKeyBZPIMJLYACMJOH-UHFFFAOYSA-N
MW440.57 g/mol
LogP2.54
Rot. Bonds4

About 6-fluoro-N-[4-(1-methylpiperidin-4-yl)phenyl]-5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide

6-fluoro-N-[4-(1-methylpiperidin-4-yl)phenyl]-5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide (PubChem CID 156600422) has the molecular formula C24H33FN6O and a molecular weight of 440.57 g/mol. Its IUPAC name is 6-fluoro-N-[4-(1-methylpiperidin-4-yl)phenyl]-5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[4-(1-methylpiperidin-4-yl)phenyl]-5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
PubChem CID156600422
Molecular FormulaC24H33FN6O
Molecular Weight440.57 g/mol
Exact Mass440.27
IUPAC Name6-fluoro-N-[4-(1-methylpiperidin-4-yl)phenyl]-5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
SMILESCN1CCC(c2ccc(NC(=O)C3NNC4CC(F)C(c5cnn(C)c5)CC43)cc2)CC1
InChIInChI=1S/C24H33FN6O/c1-30-9-7-16(8-10-30)15-3-5-18(6-4-15)27-24(32)23-20-11-19(17-13-26-31(2)14-17)21(25)12-22(20)28-29-23/h3-6,13-14,16,19-23,28-29H,7-12H2,1-2H3,(H,27,32)
InChIKeyBZPIMJLYACMJOH-UHFFFAOYSA-N
XLogP2.54
TPSA74.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-fluoro-N-[4-(1-methylpiperidin-4-yl)phenyl]-5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide with MolForge

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Related Compounds

6-fluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 156600435
6-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 156600434
N-[6-(methylcarbamoyl)-3-pyridinyl]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 156600460
(3R,4S)-N-(4-ethylphenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120917505
(2S)-4-[6-[6-fluoro-5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-yl]-2-methylmorpholine
CID 134822891
4-(1-methylpiperidin-4-yl)-N-[4-[(1R,2S)-2-phenylcyclopropyl]phenyl]benzamide
CID 144638426
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide
CID 120917329
(3R,4S)-N-(4-ethylphenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120917504
(3R,4S)-N-(4-ethoxyphenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120917018
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 120924661
(3R,4S)-N-(4-cyclohexyloxyphenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120933779
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[4-(propylsulfonylamino)phenyl]pyrrolidine-3-carboxamide
CID 120928327

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[4-(1-methylpiperidin-4-yl)phenyl]-5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The IUPAC name of 6-fluoro-N-[4-(1-methylpiperidin-4-yl)phenyl]-5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide (CID 156600422) is 6-fluoro-N-[4-(1-methylpiperidin-4-yl)phenyl]-5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-[4-(1-methylpiperidin-4-yl)phenyl]-5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The canonical SMILES for 6-fluoro-N-[4-(1-methylpiperidin-4-yl)phenyl]-5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide is CN1CCC(c2ccc(NC(=O)C3NNC4CC(F)C(c5cnn(C)c5)CC43)cc2)CC1.
What is the InChIKey of 6-fluoro-N-[4-(1-methylpiperidin-4-yl)phenyl]-5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The InChIKey is BZPIMJLYACMJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33FN6O/c1-30-9-7-16(8-10-30)15-3-5-18(6-4-15)27-24(32)23-20-11-19(17-13-26-31(2)14-17)21(25)12-22(20)28-29-23/h3-6,13-14,16,19-23,28-29H,7-12H2,1-2H3,(H,27,32).
What are the key properties of 6-fluoro-N-[4-(1-methylpiperidin-4-yl)phenyl]-5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
6-fluoro-N-[4-(1-methylpiperidin-4-yl)phenyl]-5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide has a molecular weight of 440.57 g/mol, XLogP of 2.54, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[4-(1-methylpiperidin-4-yl)phenyl]-5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 156600422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).