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

C25H26N6O — CID 118381642

IUPAC5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide
SMILESCC1CCN(Cc2cncc(-c3ccc4[nH]nc(C(=O)Nc5cccnc5)c4c3)c2)CC1
InChIInChI=1S/C25H26N6O/c1-17-6-9-31(10-7-17)16-18-11-20(14-27-13-18)19-4-5-23-22(12-19)24(30-29-23)25(32)28-21-3-2-8-26-15-21/h2-5,8,11-15,17H,6-7,9-10,16H2,1H3,(H,28,32)(H,29,30)
InChIKeyOLUJPDZZXTUOGS-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.50
Rot. Bonds5

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

5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide (PubChem CID 118381642) has the molecular formula C25H26N6O and a molecular weight of 426.52 g/mol. Its IUPAC name is 5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide
PubChem CID118381642
Molecular FormulaC25H26N6O
Molecular Weight426.52 g/mol
Exact Mass426.22
IUPAC Name5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide
SMILESCC1CCN(Cc2cncc(-c3ccc4[nH]nc(C(=O)Nc5cccnc5)c4c3)c2)CC1
InChIInChI=1S/C25H26N6O/c1-17-6-9-31(10-7-17)16-18-11-20(14-27-13-18)19-4-5-23-22(12-19)24(30-29-23)25(32)28-21-3-2-8-26-15-21/h2-5,8,11-15,17H,6-7,9-10,16H2,1H3,(H,28,32)(H,29,30)
InChIKeyOLUJPDZZXTUOGS-UHFFFAOYSA-N
XLogP4.50
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide?
The IUPAC name of 5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide (CID 118381642) is 5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide?
The canonical SMILES for 5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide is CC1CCN(Cc2cncc(-c3ccc4[nH]nc(C(=O)Nc5cccnc5)c4c3)c2)CC1.
What is the InChIKey of 5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide?
The InChIKey is OLUJPDZZXTUOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O/c1-17-6-9-31(10-7-17)16-18-11-20(14-27-13-18)19-4-5-23-22(12-19)24(30-29-23)25(32)28-21-3-2-8-26-15-21/h2-5,8,11-15,17H,6-7,9-10,16H2,1H3,(H,28,32)(H,29,30).
What are the key properties of 5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide?
5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide is sourced from PubChem (CID 118381642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).