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

C23H30F2N6O — CID 156600408

IUPAC6-fluoro-N-(4-fluorophenyl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
SMILESCN1CCC(n2cc(C3CC4C(CC3F)NNC4C(=O)Nc3ccc(F)cc3)cn2)CC1
InChIInChI=1S/C23H30F2N6O/c1-30-8-6-17(7-9-30)31-13-14(12-26-31)18-10-19-21(11-20(18)25)28-29-22(19)23(32)27-16-4-2-15(24)3-5-16/h2-5,12-13,17-22,28-29H,6-11H2,1H3,(H,27,32)
InChIKeyCWXVLGUOPZYXOQ-UHFFFAOYSA-N
MW444.53 g/mol
LogP2.60
Rot. Bonds4

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

6-fluoro-N-(4-fluorophenyl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide (PubChem CID 156600408) has the molecular formula C23H30F2N6O and a molecular weight of 444.53 g/mol. Its IUPAC name is 6-fluoro-N-(4-fluorophenyl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(4-fluorophenyl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
PubChem CID156600408
Molecular FormulaC23H30F2N6O
Molecular Weight444.53 g/mol
Exact Mass444.24
IUPAC Name6-fluoro-N-(4-fluorophenyl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
SMILESCN1CCC(n2cc(C3CC4C(CC3F)NNC4C(=O)Nc3ccc(F)cc3)cn2)CC1
InChIInChI=1S/C23H30F2N6O/c1-30-8-6-17(7-9-30)31-13-14(12-26-31)18-10-19-21(11-20(18)25)28-29-22(19)23(32)27-16-4-2-15(24)3-5-16/h2-5,12-13,17-22,28-29H,6-11H2,1H3,(H,27,32)
InChIKeyCWXVLGUOPZYXOQ-UHFFFAOYSA-N
XLogP2.60
TPSA74.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(4-fluorophenyl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The IUPAC name of 6-fluoro-N-(4-fluorophenyl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide (CID 156600408) is 6-fluoro-N-(4-fluorophenyl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-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-fluorophenyl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The canonical SMILES for 6-fluoro-N-(4-fluorophenyl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide is CN1CCC(n2cc(C3CC4C(CC3F)NNC4C(=O)Nc3ccc(F)cc3)cn2)CC1.
What is the InChIKey of 6-fluoro-N-(4-fluorophenyl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The InChIKey is CWXVLGUOPZYXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F2N6O/c1-30-8-6-17(7-9-30)31-13-14(12-26-31)18-10-19-21(11-20(18)25)28-29-22(19)23(32)27-16-4-2-15(24)3-5-16/h2-5,12-13,17-22,28-29H,6-11H2,1H3,(H,27,32).
What are the key properties of 6-fluoro-N-(4-fluorophenyl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
6-fluoro-N-(4-fluorophenyl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide has a molecular weight of 444.53 g/mol, XLogP of 2.60, 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-fluorophenyl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 156600408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).