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

C25H26N6O — CID 118381095

IUPACN-methyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide
SMILESCN(C(=O)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12)c1cccnc1
InChIInChI=1S/C25H26N6O/c1-30(21-6-5-9-26-16-21)25(32)24-22-13-19(7-8-23(22)28-29-24)20-12-18(14-27-15-20)17-31-10-3-2-4-11-31/h5-9,12-16H,2-4,10-11,17H2,1H3,(H,28,29)
InChIKeyLHAWFZVSPBMRMC-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.28
Rot. Bonds5

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

N-methyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide (PubChem CID 118381095) has the molecular formula C25H26N6O and a molecular weight of 426.52 g/mol. Its IUPAC name is N-methyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide
PubChem CID118381095
Molecular FormulaC25H26N6O
Molecular Weight426.52 g/mol
Exact Mass426.22
IUPAC NameN-methyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide
SMILESCN(C(=O)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12)c1cccnc1
InChIInChI=1S/C25H26N6O/c1-30(21-6-5-9-26-16-21)25(32)24-22-13-19(7-8-23(22)28-29-24)20-12-18(14-27-15-20)17-31-10-3-2-4-11-31/h5-9,12-16H,2-4,10-11,17H2,1H3,(H,28,29)
InChIKeyLHAWFZVSPBMRMC-UHFFFAOYSA-N
XLogP4.28
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide?
The IUPAC name of N-methyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide (CID 118381095) is N-methyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide.
What is the SMILES notation for N-methyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide?
The canonical SMILES for N-methyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide is CN(C(=O)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12)c1cccnc1.
What is the InChIKey of N-methyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide?
The InChIKey is LHAWFZVSPBMRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O/c1-30(21-6-5-9-26-16-21)25(32)24-22-13-19(7-8-23(22)28-29-24)20-12-18(14-27-15-20)17-31-10-3-2-4-11-31/h5-9,12-16H,2-4,10-11,17H2,1H3,(H,28,29).
What are the key properties of N-methyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide?
N-methyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide is sourced from PubChem (CID 118381095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).