5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridazin-4-yl-1H-indazole-3-carboxamide

C23H23N7O — CID 89444820

IUPAC5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridazin-4-yl-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccnnc1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12
InChIInChI=1S/C23H23N7O/c31-23(27-19-6-7-25-26-14-19)22-20-11-17(4-5-21(20)28-29-22)18-10-16(12-24-13-18)15-30-8-2-1-3-9-30/h4-7,10-14H,1-3,8-9,15H2,(H,28,29)(H,25,27,31)
InChIKeyIBGXNNPWIMLPPX-UHFFFAOYSA-N
MW413.49 g/mol
LogP3.65
Rot. Bonds5

About 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridazin-4-yl-1H-indazole-3-carboxamide

5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridazin-4-yl-1H-indazole-3-carboxamide (PubChem CID 89444820) has the molecular formula C23H23N7O and a molecular weight of 413.49 g/mol. Its IUPAC name is 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridazin-4-yl-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridazin-4-yl-1H-indazole-3-carboxamide
PubChem CID89444820
Molecular FormulaC23H23N7O
Molecular Weight413.49 g/mol
Exact Mass413.20
IUPAC Name5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridazin-4-yl-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccnnc1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12
InChIInChI=1S/C23H23N7O/c31-23(27-19-6-7-25-26-14-19)22-20-11-17(4-5-21(20)28-29-22)18-10-16(12-24-13-18)15-30-8-2-1-3-9-30/h4-7,10-14H,1-3,8-9,15H2,(H,28,29)(H,25,27,31)
InChIKeyIBGXNNPWIMLPPX-UHFFFAOYSA-N
XLogP3.65
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridazin-4-yl-1H-indazole-3-carboxamide?
The IUPAC name of 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridazin-4-yl-1H-indazole-3-carboxamide (CID 89444820) is 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridazin-4-yl-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridazin-4-yl-1H-indazole-3-carboxamide?
The canonical SMILES for 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridazin-4-yl-1H-indazole-3-carboxamide is O=C(Nc1ccnnc1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12.
What is the InChIKey of 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridazin-4-yl-1H-indazole-3-carboxamide?
The InChIKey is IBGXNNPWIMLPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O/c31-23(27-19-6-7-25-26-14-19)22-20-11-17(4-5-21(20)28-29-22)18-10-16(12-24-13-18)15-30-8-2-1-3-9-30/h4-7,10-14H,1-3,8-9,15H2,(H,28,29)(H,25,27,31).
What are the key properties of 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridazin-4-yl-1H-indazole-3-carboxamide?
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridazin-4-yl-1H-indazole-3-carboxamide has a molecular weight of 413.49 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridazin-4-yl-1H-indazole-3-carboxamide is sourced from PubChem (CID 89444820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).