N-[4-(difluoromethoxy)phenyl]-5-[1-[1-(2-fluoroethyl)piperidin-4-yl]pyrazol-4-yl]-1H-indazole-3-carboxamide

C25H25F3N6O2 — CID 139431402

IUPACN-[4-(difluoromethoxy)phenyl]-5-[1-[1-(2-fluoroethyl)piperidin-4-yl]pyrazol-4-yl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)c1n[nH]c2ccc(-c3cnn(C4CCN(CCF)CC4)c3)cc12
InChIInChI=1S/C25H25F3N6O2/c26-9-12-33-10-7-19(8-11-33)34-15-17(14-29-34)16-1-6-22-21(13-16)23(32-31-22)24(35)30-18-2-4-20(5-3-18)36-25(27)28/h1-6,13-15,19,25H,7-12H2,(H,30,35)(H,31,32)
InChIKeyBKHCLTBODFOXSH-UHFFFAOYSA-N
MW498.51 g/mol
LogP4.89
Rot. Bonds8

About N-[4-(difluoromethoxy)phenyl]-5-[1-[1-(2-fluoroethyl)piperidin-4-yl]pyrazol-4-yl]-1H-indazole-3-carboxamide

N-[4-(difluoromethoxy)phenyl]-5-[1-[1-(2-fluoroethyl)piperidin-4-yl]pyrazol-4-yl]-1H-indazole-3-carboxamide (PubChem CID 139431402) has the molecular formula C25H25F3N6O2 and a molecular weight of 498.51 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-5-[1-[1-(2-fluoroethyl)piperidin-4-yl]pyrazol-4-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-5-[1-[1-(2-fluoroethyl)piperidin-4-yl]pyrazol-4-yl]-1H-indazole-3-carboxamide
PubChem CID139431402
Molecular FormulaC25H25F3N6O2
Molecular Weight498.51 g/mol
Exact Mass498.20
IUPAC NameN-[4-(difluoromethoxy)phenyl]-5-[1-[1-(2-fluoroethyl)piperidin-4-yl]pyrazol-4-yl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)c1n[nH]c2ccc(-c3cnn(C4CCN(CCF)CC4)c3)cc12
InChIInChI=1S/C25H25F3N6O2/c26-9-12-33-10-7-19(8-11-33)34-15-17(14-29-34)16-1-6-22-21(13-16)23(32-31-22)24(35)30-18-2-4-20(5-3-18)36-25(27)28/h1-6,13-15,19,25H,7-12H2,(H,30,35)(H,31,32)
InChIKeyBKHCLTBODFOXSH-UHFFFAOYSA-N
XLogP4.89
TPSA88.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.51
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-5-[1-[1-(2-fluoroethyl)piperidin-4-yl]pyrazol-4-yl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-5-[1-[1-(2-fluoroethyl)piperidin-4-yl]pyrazol-4-yl]-1H-indazole-3-carboxamide (CID 139431402) is N-[4-(difluoromethoxy)phenyl]-5-[1-[1-(2-fluoroethyl)piperidin-4-yl]pyrazol-4-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-5-[1-[1-(2-fluoroethyl)piperidin-4-yl]pyrazol-4-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-5-[1-[1-(2-fluoroethyl)piperidin-4-yl]pyrazol-4-yl]-1H-indazole-3-carboxamide is O=C(Nc1ccc(OC(F)F)cc1)c1n[nH]c2ccc(-c3cnn(C4CCN(CCF)CC4)c3)cc12.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-5-[1-[1-(2-fluoroethyl)piperidin-4-yl]pyrazol-4-yl]-1H-indazole-3-carboxamide?
The InChIKey is BKHCLTBODFOXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N6O2/c26-9-12-33-10-7-19(8-11-33)34-15-17(14-29-34)16-1-6-22-21(13-16)23(32-31-22)24(35)30-18-2-4-20(5-3-18)36-25(27)28/h1-6,13-15,19,25H,7-12H2,(H,30,35)(H,31,32).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-5-[1-[1-(2-fluoroethyl)piperidin-4-yl]pyrazol-4-yl]-1H-indazole-3-carboxamide?
N-[4-(difluoromethoxy)phenyl]-5-[1-[1-(2-fluoroethyl)piperidin-4-yl]pyrazol-4-yl]-1H-indazole-3-carboxamide has a molecular weight of 498.51 g/mol, XLogP of 4.89, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-5-[1-[1-(2-fluoroethyl)piperidin-4-yl]pyrazol-4-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 139431402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).