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

C30H26F2N6O — CID 89450483

IUPAC5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-phenyl-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)CC4)c3)cc12
InChIInChI=1S/C30H26F2N6O/c31-30(32)10-12-38(13-11-30)19-20-14-23(17-33-16-20)22-6-8-27-25(15-22)28(37-36-27)29(39)35-24-7-9-26(34-18-24)21-4-2-1-3-5-21/h1-9,14-18H,10-13,19H2,(H,35,39)(H,36,37)
InChIKeyQDEBKMDFPNVWLF-UHFFFAOYSA-N
MW524.58 g/mol
LogP6.17
Rot. Bonds6

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

5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-phenyl-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 89450483) has the molecular formula C30H26F2N6O and a molecular weight of 524.58 g/mol. Its IUPAC name is 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-phenyl-3-pyridinyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-phenyl-3-pyridinyl)-1H-indazole-3-carboxamide
PubChem CID89450483
Molecular FormulaC30H26F2N6O
Molecular Weight524.58 g/mol
Exact Mass524.21
IUPAC Name5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-phenyl-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)CC4)c3)cc12
InChIInChI=1S/C30H26F2N6O/c31-30(32)10-12-38(13-11-30)19-20-14-23(17-33-16-20)22-6-8-27-25(15-22)28(37-36-27)29(39)35-24-7-9-26(34-18-24)21-4-2-1-3-5-21/h1-9,14-18H,10-13,19H2,(H,35,39)(H,36,37)
InChIKeyQDEBKMDFPNVWLF-UHFFFAOYSA-N
XLogP6.17
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.58
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-phenyl-3-pyridinyl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-phenyl-3-pyridinyl)-1H-indazole-3-carboxamide (CID 89450483) is 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-phenyl-3-pyridinyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-phenyl-3-pyridinyl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-phenyl-3-pyridinyl)-1H-indazole-3-carboxamide is O=C(Nc1ccc(-c2ccccc2)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-phenyl-3-pyridinyl)-1H-indazole-3-carboxamide?
The InChIKey is QDEBKMDFPNVWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26F2N6O/c31-30(32)10-12-38(13-11-30)19-20-14-23(17-33-16-20)22-6-8-27-25(15-22)28(37-36-27)29(39)35-24-7-9-26(34-18-24)21-4-2-1-3-5-21/h1-9,14-18H,10-13,19H2,(H,35,39)(H,36,37).
What are the key properties of 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-phenyl-3-pyridinyl)-1H-indazole-3-carboxamide?
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-phenyl-3-pyridinyl)-1H-indazole-3-carboxamide has a molecular weight of 524.58 g/mol, XLogP of 6.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-phenyl-3-pyridinyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 89450483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).