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

C24H32F2N6O2 — CID 156600415

IUPACN-[4-(difluoromethoxy)phenyl]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
SMILESCN1CCC(n2cc(C3CCC4NNC(C(=O)Nc5ccc(OC(F)F)cc5)C4C3)cn2)CC1
InChIInChI=1S/C24H32F2N6O2/c1-31-10-8-18(9-11-31)32-14-16(13-27-32)15-2-7-21-20(12-15)22(30-29-21)23(33)28-17-3-5-19(6-4-17)34-24(25)26/h3-6,13-15,18,20-22,24,29-30H,2,7-12H2,1H3,(H,28,33)
InChIKeyVUHIJRJLFNDUSP-UHFFFAOYSA-N
MW474.56 g/mol
LogP3.12
Rot. Bonds6

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

N-[4-(difluoromethoxy)phenyl]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide (PubChem CID 156600415) has the molecular formula C24H32F2N6O2 and a molecular weight of 474.56 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-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 NameN-[4-(difluoromethoxy)phenyl]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
PubChem CID156600415
Molecular FormulaC24H32F2N6O2
Molecular Weight474.56 g/mol
Exact Mass474.26
IUPAC NameN-[4-(difluoromethoxy)phenyl]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
SMILESCN1CCC(n2cc(C3CCC4NNC(C(=O)Nc5ccc(OC(F)F)cc5)C4C3)cn2)CC1
InChIInChI=1S/C24H32F2N6O2/c1-31-10-8-18(9-11-31)32-14-16(13-27-32)15-2-7-21-20(12-15)22(30-29-21)23(33)28-17-3-5-19(6-4-17)34-24(25)26/h3-6,13-15,18,20-22,24,29-30H,2,7-12H2,1H3,(H,28,33)
InChIKeyVUHIJRJLFNDUSP-UHFFFAOYSA-N
XLogP3.12
TPSA83.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[4-(difluoromethoxy)phenyl]-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 N-[4-(difluoromethoxy)phenyl]-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 N-[4-(difluoromethoxy)phenyl]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide (CID 156600415) is N-[4-(difluoromethoxy)phenyl]-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 N-[4-(difluoromethoxy)phenyl]-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 N-[4-(difluoromethoxy)phenyl]-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(C3CCC4NNC(C(=O)Nc5ccc(OC(F)F)cc5)C4C3)cn2)CC1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-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 VUHIJRJLFNDUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32F2N6O2/c1-31-10-8-18(9-11-31)32-14-16(13-27-32)15-2-7-21-20(12-15)22(30-29-21)23(33)28-17-3-5-19(6-4-17)34-24(25)26/h3-6,13-15,18,20-22,24,29-30H,2,7-12H2,1H3,(H,28,33).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
N-[4-(difluoromethoxy)phenyl]-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 474.56 g/mol, XLogP of 3.12, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-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 156600415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).