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

C24H32F2N6O2 — CID 156600420

IUPACN-[4-(difluoromethoxy)phenyl]-5-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)C1NNC2CCC(c3cnn(CC4CCNCC4)c3)CC21
InChIInChI=1S/C24H32F2N6O2/c25-24(26)34-19-4-2-18(3-5-19)29-23(33)22-20-11-16(1-6-21(20)30-31-22)17-12-28-32(14-17)13-15-7-9-27-10-8-15/h2-5,12,14-16,20-22,24,27,30-31H,1,6-11,13H2,(H,29,33)
InChIKeyIRYQFQNCGGRQQL-UHFFFAOYSA-N
MW474.56 g/mol
LogP2.85
Rot. Bonds7

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

N-[4-(difluoromethoxy)phenyl]-5-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide (PubChem CID 156600420) has the molecular formula C24H32F2N6O2 and a molecular weight of 474.56 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-5-[1-(piperidin-4-ylmethyl)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-(piperidin-4-ylmethyl)pyrazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
PubChem CID156600420
Molecular FormulaC24H32F2N6O2
Molecular Weight474.56 g/mol
Exact Mass474.26
IUPAC NameN-[4-(difluoromethoxy)phenyl]-5-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)C1NNC2CCC(c3cnn(CC4CCNCC4)c3)CC21
InChIInChI=1S/C24H32F2N6O2/c25-24(26)34-19-4-2-18(3-5-19)29-23(33)22-20-11-16(1-6-21(20)30-31-22)17-12-28-32(14-17)13-15-7-9-27-10-8-15/h2-5,12,14-16,20-22,24,27,30-31H,1,6-11,13H2,(H,29,33)
InChIKeyIRYQFQNCGGRQQL-UHFFFAOYSA-N
XLogP2.85
TPSA92.24 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 52.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-[4-(difluoromethoxy)phenyl]-5-[1-(piperidin-4-ylmethyl)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-(piperidin-4-ylmethyl)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-(piperidin-4-ylmethyl)pyrazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide (CID 156600420) is N-[4-(difluoromethoxy)phenyl]-5-[1-(piperidin-4-ylmethyl)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-(piperidin-4-ylmethyl)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-(piperidin-4-ylmethyl)pyrazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide is O=C(Nc1ccc(OC(F)F)cc1)C1NNC2CCC(c3cnn(CC4CCNCC4)c3)CC21.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-5-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The InChIKey is IRYQFQNCGGRQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32F2N6O2/c25-24(26)34-19-4-2-18(3-5-19)29-23(33)22-20-11-16(1-6-21(20)30-31-22)17-12-28-32(14-17)13-15-7-9-27-10-8-15/h2-5,12,14-16,20-22,24,27,30-31H,1,6-11,13H2,(H,29,33).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-5-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
N-[4-(difluoromethoxy)phenyl]-5-[1-(piperidin-4-ylmethyl)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 2.85, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-5-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 156600420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).