N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

C27H27N5O3 — CID 89450452

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12
InChIInChI=1S/C27H27N5O3/c33-27(29-21-5-7-24-25(14-21)35-11-10-34-24)26-22-13-19(4-6-23(22)30-31-26)20-12-18(15-28-16-20)17-32-8-2-1-3-9-32/h4-7,12-16H,1-3,8-11,17H2,(H,29,33)(H,30,31)
InChIKeyUYXVOXQMQIUENM-UHFFFAOYSA-N
MW469.55 g/mol
LogP4.63
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 89450452) has the molecular formula C27H27N5O3 and a molecular weight of 469.55 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
PubChem CID89450452
Molecular FormulaC27H27N5O3
Molecular Weight469.55 g/mol
Exact Mass469.21
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12
InChIInChI=1S/C27H27N5O3/c33-27(29-21-5-7-24-25(14-21)35-11-10-34-24)26-22-13-19(4-6-23(22)30-31-26)20-12-18(15-28-16-20)17-32-8-2-1-3-9-32/h4-7,12-16H,1-3,8-11,17H2,(H,29,33)(H,30,31)
InChIKeyUYXVOXQMQIUENM-UHFFFAOYSA-N
XLogP4.63
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.55
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 89450452) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The InChIKey is UYXVOXQMQIUENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O3/c33-27(29-21-5-7-24-25(14-21)35-11-10-34-24)26-22-13-19(4-6-23(22)30-31-26)20-12-18(15-28-16-20)17-32-8-2-1-3-9-32/h4-7,12-16H,1-3,8-11,17H2,(H,29,33)(H,30,31).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 469.55 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 89450452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).