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

C23H21F3N6O2 — CID 139431446

IUPACN-[4-(difluoromethoxy)phenyl]-5-[1-(3-fluoropiperidin-4-yl)pyrazol-4-yl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)c1n[nH]c2ccc(-c3cnn(C4CCNCC4F)c3)cc12
InChIInChI=1S/C23H21F3N6O2/c24-18-11-27-8-7-20(18)32-12-14(10-28-32)13-1-6-19-17(9-13)21(31-30-19)22(33)29-15-2-4-16(5-3-15)34-23(25)26/h1-6,9-10,12,18,20,23,27H,7-8,11H2,(H,29,33)(H,30,31)
InChIKeyHYTIQQZBXOFODQ-UHFFFAOYSA-N
MW470.46 g/mol
LogP4.15
Rot. Bonds6

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

N-[4-(difluoromethoxy)phenyl]-5-[1-(3-fluoropiperidin-4-yl)pyrazol-4-yl]-1H-indazole-3-carboxamide (PubChem CID 139431446) has the molecular formula C23H21F3N6O2 and a molecular weight of 470.46 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-5-[1-(3-fluoropiperidin-4-yl)pyrazol-4-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-5-[1-(3-fluoropiperidin-4-yl)pyrazol-4-yl]-1H-indazole-3-carboxamide
PubChem CID139431446
Molecular FormulaC23H21F3N6O2
Molecular Weight470.46 g/mol
Exact Mass470.17
IUPAC NameN-[4-(difluoromethoxy)phenyl]-5-[1-(3-fluoropiperidin-4-yl)pyrazol-4-yl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)c1n[nH]c2ccc(-c3cnn(C4CCNCC4F)c3)cc12
InChIInChI=1S/C23H21F3N6O2/c24-18-11-27-8-7-20(18)32-12-14(10-28-32)13-1-6-19-17(9-13)21(31-30-19)22(33)29-15-2-4-16(5-3-15)34-23(25)26/h1-6,9-10,12,18,20,23,27H,7-8,11H2,(H,29,33)(H,30,31)
InChIKeyHYTIQQZBXOFODQ-UHFFFAOYSA-N
XLogP4.15
TPSA96.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.46
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-5-[1-(3-fluoropiperidin-4-yl)pyrazol-4-yl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-5-[1-(3-fluoropiperidin-4-yl)pyrazol-4-yl]-1H-indazole-3-carboxamide (CID 139431446) is N-[4-(difluoromethoxy)phenyl]-5-[1-(3-fluoropiperidin-4-yl)pyrazol-4-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-5-[1-(3-fluoropiperidin-4-yl)pyrazol-4-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-5-[1-(3-fluoropiperidin-4-yl)pyrazol-4-yl]-1H-indazole-3-carboxamide is O=C(Nc1ccc(OC(F)F)cc1)c1n[nH]c2ccc(-c3cnn(C4CCNCC4F)c3)cc12.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-5-[1-(3-fluoropiperidin-4-yl)pyrazol-4-yl]-1H-indazole-3-carboxamide?
The InChIKey is HYTIQQZBXOFODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N6O2/c24-18-11-27-8-7-20(18)32-12-14(10-28-32)13-1-6-19-17(9-13)21(31-30-19)22(33)29-15-2-4-16(5-3-15)34-23(25)26/h1-6,9-10,12,18,20,23,27H,7-8,11H2,(H,29,33)(H,30,31).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-5-[1-(3-fluoropiperidin-4-yl)pyrazol-4-yl]-1H-indazole-3-carboxamide?
N-[4-(difluoromethoxy)phenyl]-5-[1-(3-fluoropiperidin-4-yl)pyrazol-4-yl]-1H-indazole-3-carboxamide has a molecular weight of 470.46 g/mol, XLogP of 4.15, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-5-[1-(3-fluoropiperidin-4-yl)pyrazol-4-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 139431446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).