5-[6-(piperidin-1-ylmethyl)-1,3-benzodioxol-5-yl]-N-pyridin-4-yl-1H-indazole-3-carboxamide

C26H25N5O3 — CID 156501640

IUPAC5-[6-(piperidin-1-ylmethyl)-1,3-benzodioxol-5-yl]-N-pyridin-4-yl-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccncc1)c1n[nH]c2ccc(-c3cc4c(cc3CN3CCCCC3)OCO4)cc12
InChIInChI=1S/C26H25N5O3/c32-26(28-19-6-8-27-9-7-19)25-21-12-17(4-5-22(21)29-30-25)20-14-24-23(33-16-34-24)13-18(20)15-31-10-2-1-3-11-31/h4-9,12-14H,1-3,10-11,15-16H2,(H,29,30)(H,27,28,32)
InChIKeyKCGDRHLJMJMRBH-UHFFFAOYSA-N
MW455.52 g/mol
LogP4.59
Rot. Bonds5

About 5-[6-(piperidin-1-ylmethyl)-1,3-benzodioxol-5-yl]-N-pyridin-4-yl-1H-indazole-3-carboxamide

5-[6-(piperidin-1-ylmethyl)-1,3-benzodioxol-5-yl]-N-pyridin-4-yl-1H-indazole-3-carboxamide (PubChem CID 156501640) has the molecular formula C26H25N5O3 and a molecular weight of 455.52 g/mol. Its IUPAC name is 5-[6-(piperidin-1-ylmethyl)-1,3-benzodioxol-5-yl]-N-pyridin-4-yl-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-[6-(piperidin-1-ylmethyl)-1,3-benzodioxol-5-yl]-N-pyridin-4-yl-1H-indazole-3-carboxamide
PubChem CID156501640
Molecular FormulaC26H25N5O3
Molecular Weight455.52 g/mol
Exact Mass455.20
IUPAC Name5-[6-(piperidin-1-ylmethyl)-1,3-benzodioxol-5-yl]-N-pyridin-4-yl-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccncc1)c1n[nH]c2ccc(-c3cc4c(cc3CN3CCCCC3)OCO4)cc12
InChIInChI=1S/C26H25N5O3/c32-26(28-19-6-8-27-9-7-19)25-21-12-17(4-5-22(21)29-30-25)20-14-24-23(33-16-34-24)13-18(20)15-31-10-2-1-3-11-31/h4-9,12-14H,1-3,10-11,15-16H2,(H,29,30)(H,27,28,32)
InChIKeyKCGDRHLJMJMRBH-UHFFFAOYSA-N
XLogP4.59
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(piperidin-1-ylmethyl)-1,3-benzodioxol-5-yl]-N-pyridin-4-yl-1H-indazole-3-carboxamide?
The IUPAC name of 5-[6-(piperidin-1-ylmethyl)-1,3-benzodioxol-5-yl]-N-pyridin-4-yl-1H-indazole-3-carboxamide (CID 156501640) is 5-[6-(piperidin-1-ylmethyl)-1,3-benzodioxol-5-yl]-N-pyridin-4-yl-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-[6-(piperidin-1-ylmethyl)-1,3-benzodioxol-5-yl]-N-pyridin-4-yl-1H-indazole-3-carboxamide?
The canonical SMILES for 5-[6-(piperidin-1-ylmethyl)-1,3-benzodioxol-5-yl]-N-pyridin-4-yl-1H-indazole-3-carboxamide is O=C(Nc1ccncc1)c1n[nH]c2ccc(-c3cc4c(cc3CN3CCCCC3)OCO4)cc12.
What is the InChIKey of 5-[6-(piperidin-1-ylmethyl)-1,3-benzodioxol-5-yl]-N-pyridin-4-yl-1H-indazole-3-carboxamide?
The InChIKey is KCGDRHLJMJMRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O3/c32-26(28-19-6-8-27-9-7-19)25-21-12-17(4-5-22(21)29-30-25)20-14-24-23(33-16-34-24)13-18(20)15-31-10-2-1-3-11-31/h4-9,12-14H,1-3,10-11,15-16H2,(H,29,30)(H,27,28,32).
What are the key properties of 5-[6-(piperidin-1-ylmethyl)-1,3-benzodioxol-5-yl]-N-pyridin-4-yl-1H-indazole-3-carboxamide?
5-[6-(piperidin-1-ylmethyl)-1,3-benzodioxol-5-yl]-N-pyridin-4-yl-1H-indazole-3-carboxamide has a molecular weight of 455.52 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(piperidin-1-ylmethyl)-1,3-benzodioxol-5-yl]-N-pyridin-4-yl-1H-indazole-3-carboxamide is sourced from PubChem (CID 156501640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).