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

C31H28F2N6O — CID 89451027

IUPACN-(6-benzyl-3-pyridinyl)-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(Cc2ccccc2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)CC4)c3)cc12
InChIInChI=1S/C31H28F2N6O/c32-31(33)10-12-39(13-11-31)20-22-14-24(18-34-17-22)23-6-9-28-27(16-23)29(38-37-28)30(40)36-26-8-7-25(35-19-26)15-21-4-2-1-3-5-21/h1-9,14,16-19H,10-13,15,20H2,(H,36,40)(H,37,38)
InChIKeyQTUKCIOCTMUJNB-UHFFFAOYSA-N
MW538.60 g/mol
LogP6.09
Rot. Bonds7

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

N-(6-benzyl-3-pyridinyl)-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 89451027) has the molecular formula C31H28F2N6O and a molecular weight of 538.60 g/mol. Its IUPAC name is N-(6-benzyl-3-pyridinyl)-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(6-benzyl-3-pyridinyl)-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
PubChem CID89451027
Molecular FormulaC31H28F2N6O
Molecular Weight538.60 g/mol
Exact Mass538.23
IUPAC NameN-(6-benzyl-3-pyridinyl)-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(Cc2ccccc2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)CC4)c3)cc12
InChIInChI=1S/C31H28F2N6O/c32-31(33)10-12-39(13-11-31)20-22-14-24(18-34-17-22)23-6-9-28-27(16-23)29(38-37-28)30(40)36-26-8-7-25(35-19-26)15-21-4-2-1-3-5-21/h1-9,14,16-19H,10-13,15,20H2,(H,36,40)(H,37,38)
InChIKeyQTUKCIOCTMUJNB-UHFFFAOYSA-N
XLogP6.09
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.60
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(6-benzyl-3-pyridinyl)-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide with MolForge

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Related Compounds

N-[2-Fluoro-5-[[3-[(1E)-2-(2-pyridinyl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 9934283
3-[5-(Piperidin-1-Ylmethyl)-1h-Indol-2-Yl]-6-(1h-Pyrazol-4-Yl)quinolin-2(1h)-One
CID 11690363
N-(6-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89458694
N-(5-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381061
3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxamide
CID 15958784
3-(5-((4-fluoropiperidin-1-yl)methyl)-1H-indol-2-yl)-6-(1H-pyrazol-4-yl)quinolin-2(1H)-one
CID 16049816
Teplinovivint
CID 89451003
N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
CID 139431440
2-[4-[3,5-bis(trifluoromethyl)benzoyl]-3-(1H-indol-3-ylmethyl)piperazin-1-yl]-N-(4-methylpiperazin-1-yl)acetamide
CID 44213739
5-(1~{h}-Indol-3-Ylmethyl)-1-Methyl-~{n}-(Naphthalen-1-Ylmethyl)-6,7-Dihydro-4~{h}-Pyrazolo[4,3-C]pyridine-3-Carboxamide
CID 118933302
N-(pyridin-2-ylmethyl)-1H-indazole-3-carboxamide
CID 2999812
3-(1H-Indazol-3-yl)-4-(1-pyridin-3-yl-1H-indol-3-yl)-pyrrole-2,5-dione
CID 10272623

Frequently Asked Questions

What is the IUPAC name of N-(6-benzyl-3-pyridinyl)-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-(6-benzyl-3-pyridinyl)-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide (CID 89451027) is N-(6-benzyl-3-pyridinyl)-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(6-benzyl-3-pyridinyl)-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-(6-benzyl-3-pyridinyl)-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide is O=C(Nc1ccc(Cc2ccccc2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)CC4)c3)cc12.
What is the InChIKey of N-(6-benzyl-3-pyridinyl)-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide?
The InChIKey is QTUKCIOCTMUJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28F2N6O/c32-31(33)10-12-39(13-11-31)20-22-14-24(18-34-17-22)23-6-9-28-27(16-23)29(38-37-28)30(40)36-26-8-7-25(35-19-26)15-21-4-2-1-3-5-21/h1-9,14,16-19H,10-13,15,20H2,(H,36,40)(H,37,38).
What are the key properties of N-(6-benzyl-3-pyridinyl)-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide?
N-(6-benzyl-3-pyridinyl)-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 538.60 g/mol, XLogP of 6.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-benzyl-3-pyridinyl)-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 89451027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).