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

C23H30F2N6O2 — CID 156600412

IUPACN-[4-(difluoromethoxy)phenyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)C1NNC2CCC(c3cnn(C4CCNCC4)c3)CC21
InChIInChI=1S/C23H30F2N6O2/c24-23(25)33-18-4-2-16(3-5-18)28-22(32)21-19-11-14(1-6-20(19)29-30-21)15-12-27-31(13-15)17-7-9-26-10-8-17/h2-5,12-14,17,19-21,23,26,29-30H,1,6-11H2,(H,28,32)
InChIKeyRBKAAQCWQDKAPO-UHFFFAOYSA-N
MW460.53 g/mol
LogP2.78
Rot. Bonds6

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

N-[4-(difluoromethoxy)phenyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide (PubChem CID 156600412) has the molecular formula C23H30F2N6O2 and a molecular weight of 460.53 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-5-(1-piperidin-4-ylpyrazol-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-ylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
PubChem CID156600412
Molecular FormulaC23H30F2N6O2
Molecular Weight460.53 g/mol
Exact Mass460.24
IUPAC NameN-[4-(difluoromethoxy)phenyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)C1NNC2CCC(c3cnn(C4CCNCC4)c3)CC21
InChIInChI=1S/C23H30F2N6O2/c24-23(25)33-18-4-2-16(3-5-18)28-22(32)21-19-11-14(1-6-20(19)29-30-21)15-12-27-31(13-15)17-7-9-26-10-8-17/h2-5,12-14,17,19-21,23,26,29-30H,1,6-11H2,(H,28,32)
InChIKeyRBKAAQCWQDKAPO-UHFFFAOYSA-N
XLogP2.78
TPSA92.24 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 52.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-[4-(difluoromethoxy)phenyl]-5-(1-piperidin-4-ylpyrazol-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-ylpyrazol-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-ylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide (CID 156600412) is N-[4-(difluoromethoxy)phenyl]-5-(1-piperidin-4-ylpyrazol-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-ylpyrazol-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-ylpyrazol-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(C4CCNCC4)c3)CC21.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The InChIKey is RBKAAQCWQDKAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F2N6O2/c24-23(25)33-18-4-2-16(3-5-18)28-22(32)21-19-11-14(1-6-20(19)29-30-21)15-12-27-31(13-15)17-7-9-26-10-8-17/h2-5,12-14,17,19-21,23,26,29-30H,1,6-11H2,(H,28,32).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
N-[4-(difluoromethoxy)phenyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide has a molecular weight of 460.53 g/mol, XLogP of 2.78, 6 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-ylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 156600412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).