5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide

C30H25F3N6O2 — CID 89450501

IUPAC5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(Oc2cccc(F)c2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)CC4)c3)cc12
InChIInChI=1S/C30H25F3N6O2/c31-22-2-1-3-24(14-22)41-27-7-5-23(17-35-27)36-29(40)28-25-13-20(4-6-26(25)37-38-28)21-12-19(15-34-16-21)18-39-10-8-30(32,33)9-11-39/h1-7,12-17H,8-11,18H2,(H,36,40)(H,37,38)
InChIKeyPWYOZKQDERUAIC-UHFFFAOYSA-N
MW558.56 g/mol
LogP6.43
Rot. Bonds7

About 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide

5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 89450501) has the molecular formula C30H25F3N6O2 and a molecular weight of 558.56 g/mol. Its IUPAC name is 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide
PubChem CID89450501
Molecular FormulaC30H25F3N6O2
Molecular Weight558.56 g/mol
Exact Mass558.20
IUPAC Name5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(Oc2cccc(F)c2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)CC4)c3)cc12
InChIInChI=1S/C30H25F3N6O2/c31-22-2-1-3-24(14-22)41-27-7-5-23(17-35-27)36-29(40)28-25-13-20(4-6-26(25)37-38-28)21-12-19(15-34-16-21)18-39-10-8-30(32,33)9-11-39/h1-7,12-17H,8-11,18H2,(H,36,40)(H,37,38)
InChIKeyPWYOZKQDERUAIC-UHFFFAOYSA-N
XLogP6.43
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.56
LogP ≤ 56.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 89450501) is 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide is O=C(Nc1ccc(Oc2cccc(F)c2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)CC4)c3)cc12.
What is the InChIKey of 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide?
The InChIKey is PWYOZKQDERUAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25F3N6O2/c31-22-2-1-3-24(14-22)41-27-7-5-23(17-35-27)36-29(40)28-25-13-20(4-6-26(25)37-38-28)21-12-19(15-34-16-21)18-39-10-8-30(32,33)9-11-39/h1-7,12-17H,8-11,18H2,(H,36,40)(H,37,38).
What are the key properties of 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide?
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 558.56 g/mol, XLogP of 6.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 89450501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).