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

C26H27N5O — CID 118382272

IUPAC5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide
SMILESCC1CCN(Cc2cncc(-c3ccc4[nH]nc(C(=O)Nc5ccccc5)c4c3)c2)CC1
InChIInChI=1S/C26H27N5O/c1-18-9-11-31(12-10-18)17-19-13-21(16-27-15-19)20-7-8-24-23(14-20)25(30-29-24)26(32)28-22-5-3-2-4-6-22/h2-8,13-16,18H,9-12,17H2,1H3,(H,28,32)(H,29,30)
InChIKeyBWQUOTYZWWYZRD-UHFFFAOYSA-N
MW425.54 g/mol
LogP5.11
Rot. Bonds5

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

5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide (PubChem CID 118382272) has the molecular formula C26H27N5O and a molecular weight of 425.54 g/mol. Its IUPAC name is 5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide
PubChem CID118382272
Molecular FormulaC26H27N5O
Molecular Weight425.54 g/mol
Exact Mass425.22
IUPAC Name5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide
SMILESCC1CCN(Cc2cncc(-c3ccc4[nH]nc(C(=O)Nc5ccccc5)c4c3)c2)CC1
InChIInChI=1S/C26H27N5O/c1-18-9-11-31(12-10-18)17-19-13-21(16-27-15-19)20-7-8-24-23(14-20)25(30-29-24)26(32)28-22-5-3-2-4-6-22/h2-8,13-16,18H,9-12,17H2,1H3,(H,28,32)(H,29,30)
InChIKeyBWQUOTYZWWYZRD-UHFFFAOYSA-N
XLogP5.11
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.54
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-benzyl-3-pyridinyl)-5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381917
5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-phenyl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 118382472
5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-pyridin-4-yl-1H-indazole-3-carboxamide
CID 89450524
N-[6-(methyl-methylidene-oxo-λ6-sulfanyl)-3-pyridinyl]-5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 144928929
N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118382212
N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381916
5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 118381798
N-(3,5-difluoro-2-pyridinyl)-5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381576
5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(5-benzyl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 89451203
5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1H-indazole-3-carboxamide
CID 118382108
ethane;N-(6-phenyl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 144555502
5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide
CID 89458778

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide?
The IUPAC name of 5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide (CID 118382272) is 5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide?
The canonical SMILES for 5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide is CC1CCN(Cc2cncc(-c3ccc4[nH]nc(C(=O)Nc5ccccc5)c4c3)c2)CC1.
What is the InChIKey of 5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide?
The InChIKey is BWQUOTYZWWYZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O/c1-18-9-11-31(12-10-18)17-19-13-21(16-27-15-19)20-7-8-24-23(14-20)25(30-29-24)26(32)28-22-5-3-2-4-6-22/h2-8,13-16,18H,9-12,17H2,1H3,(H,28,32)(H,29,30).
What are the key properties of 5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide?
5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide has a molecular weight of 425.54 g/mol, XLogP of 5.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide is sourced from PubChem (CID 118382272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).