6-(1,4-diazepan-1-yl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide

C26H36N6O2 — CID 155547180

IUPAC6-(1,4-diazepan-1-yl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide
SMILESCCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(N2CCCNCC2)cc2c1cnn2C(C)C
InChIInChI=1S/C26H36N6O2/c1-5-7-19-12-18(4)30-26(34)22(19)15-28-25(33)21-13-20(31-10-6-8-27-9-11-31)14-24-23(21)16-29-32(24)17(2)3/h12-14,16-17,27H,5-11,15H2,1-4H3,(H,28,33)(H,30,34)
InChIKeyZBMXBJZKOIFKKZ-UHFFFAOYSA-N
MW464.61 g/mol
LogP3.30
Rot. Bonds7

About 6-(1,4-diazepan-1-yl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide

6-(1,4-diazepan-1-yl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide (PubChem CID 155547180) has the molecular formula C26H36N6O2 and a molecular weight of 464.61 g/mol. Its IUPAC name is 6-(1,4-diazepan-1-yl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide.

Molecular Properties

Compound Name6-(1,4-diazepan-1-yl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide
PubChem CID155547180
Molecular FormulaC26H36N6O2
Molecular Weight464.61 g/mol
Exact Mass464.29
IUPAC Name6-(1,4-diazepan-1-yl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide
SMILESCCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(N2CCCNCC2)cc2c1cnn2C(C)C
InChIInChI=1S/C26H36N6O2/c1-5-7-19-12-18(4)30-26(34)22(19)15-28-25(33)21-13-20(31-10-6-8-27-9-11-31)14-24-23(21)16-29-32(24)17(2)3/h12-14,16-17,27H,5-11,15H2,1-4H3,(H,28,33)(H,30,34)
InChIKeyZBMXBJZKOIFKKZ-UHFFFAOYSA-N
XLogP3.30
TPSA95.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.61
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1,4-diazepan-1-yl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide?
The IUPAC name of 6-(1,4-diazepan-1-yl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide (CID 155547180) is 6-(1,4-diazepan-1-yl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide.
What is the SMILES notation for 6-(1,4-diazepan-1-yl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide?
The canonical SMILES for 6-(1,4-diazepan-1-yl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide is CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(N2CCCNCC2)cc2c1cnn2C(C)C.
What is the InChIKey of 6-(1,4-diazepan-1-yl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide?
The InChIKey is ZBMXBJZKOIFKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N6O2/c1-5-7-19-12-18(4)30-26(34)22(19)15-28-25(33)21-13-20(31-10-6-8-27-9-11-31)14-24-23(21)16-29-32(24)17(2)3/h12-14,16-17,27H,5-11,15H2,1-4H3,(H,28,33)(H,30,34).
What are the key properties of 6-(1,4-diazepan-1-yl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide?
6-(1,4-diazepan-1-yl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide has a molecular weight of 464.61 g/mol, XLogP of 3.30, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,4-diazepan-1-yl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide is sourced from PubChem (CID 155547180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).