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

C24H33FN6O2 — CID 156600474

IUPAC6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-(1-methylpyrazol-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
SMILESCN1CCC(Oc2ccc(NC(=O)C3NNC4CC(F)C(c5ccn(C)n5)CC43)cc2)CC1
InChIInChI=1S/C24H33FN6O2/c1-30-10-7-17(8-11-30)33-16-5-3-15(4-6-16)26-24(32)23-19-13-18(21-9-12-31(2)29-21)20(25)14-22(19)27-28-23/h3-6,9,12,17-20,22-23,27-28H,7-8,10-11,13-14H2,1-2H3,(H,26,32)
InChIKeyZVMXTWYLXNFJDK-UHFFFAOYSA-N
MW456.57 g/mol
LogP2.21
Rot. Bonds5

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

6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-(1-methylpyrazol-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide (PubChem CID 156600474) has the molecular formula C24H33FN6O2 and a molecular weight of 456.57 g/mol. Its IUPAC name is 6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-(1-methylpyrazol-3-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)oxyphenyl]-5-(1-methylpyrazol-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
PubChem CID156600474
Molecular FormulaC24H33FN6O2
Molecular Weight456.57 g/mol
Exact Mass456.26
IUPAC Name6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-(1-methylpyrazol-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
SMILESCN1CCC(Oc2ccc(NC(=O)C3NNC4CC(F)C(c5ccn(C)n5)CC43)cc2)CC1
InChIInChI=1S/C24H33FN6O2/c1-30-10-7-17(8-11-30)33-16-5-3-15(4-6-16)26-24(32)23-19-13-18(21-9-12-31(2)29-21)20(25)14-22(19)27-28-23/h3-6,9,12,17-20,22-23,27-28H,7-8,10-11,13-14H2,1-2H3,(H,26,32)
InChIKeyZVMXTWYLXNFJDK-UHFFFAOYSA-N
XLogP2.21
TPSA83.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-[(3R,5S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]-3-(2-methylindazol-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide
CID 91970759
N-[(3R,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]-3-(2-methylindazol-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide
CID 91970760
5-(1,5-dimethylpyrazol-4-yl)-6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 156600438
6-fluoro-N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 156600453
6-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 156600469
6-fluoro-N-[5-fluoro-6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 156600471
3-(1-ethylpyrazol-4-yl)-N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide
CID 91970746
N-[(3R,6S)-6-(dimethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methylindazol-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide
CID 91970861
N-[(3R,6S)-6-(diethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methylindazol-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide
CID 91970862
5-[1-(azetidin-3-yl)pyrazol-4-yl]-N-[4-(difluoromethoxy)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 156600411
N-[4-(difluoromethoxy)phenyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 156600412
N-[4-(difluoromethoxy)phenyl]-6-fluoro-5-(1-piperidin-4-ylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 156600413

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-(1-methylpyrazol-3-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)oxyphenyl]-5-(1-methylpyrazol-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide (CID 156600474) is 6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-(1-methylpyrazol-3-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)oxyphenyl]-5-(1-methylpyrazol-3-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)oxyphenyl]-5-(1-methylpyrazol-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide is CN1CCC(Oc2ccc(NC(=O)C3NNC4CC(F)C(c5ccn(C)n5)CC43)cc2)CC1.
What is the InChIKey of 6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-(1-methylpyrazol-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The InChIKey is ZVMXTWYLXNFJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33FN6O2/c1-30-10-7-17(8-11-30)33-16-5-3-15(4-6-16)26-24(32)23-19-13-18(21-9-12-31(2)29-21)20(25)14-22(19)27-28-23/h3-6,9,12,17-20,22-23,27-28H,7-8,10-11,13-14H2,1-2H3,(H,26,32).
What are the key properties of 6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-(1-methylpyrazol-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-(1-methylpyrazol-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide has a molecular weight of 456.57 g/mol, XLogP of 2.21, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-(1-methylpyrazol-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 156600474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).