N-[4-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)oxolan-3-yl]-1H-indole-5-carboxamide

C22H19N5O3 — CID 126940248

IUPACN-[4-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)oxolan-3-yl]-1H-indole-5-carboxamide
SMILESO=C(NC1COCC1n1nc(-c2ccncc2)ccc1=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C22H19N5O3/c28-21-4-3-18(14-5-8-23-9-6-14)26-27(21)20-13-30-12-19(20)25-22(29)16-1-2-17-15(11-16)7-10-24-17/h1-11,19-20,24H,12-13H2,(H,25,29)
InChIKeyAFRSYJBVWVIVEB-UHFFFAOYSA-N
MW401.43 g/mol
LogP2.16
Rot. Bonds4

About N-[4-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)oxolan-3-yl]-1H-indole-5-carboxamide

N-[4-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)oxolan-3-yl]-1H-indole-5-carboxamide (PubChem CID 126940248) has the molecular formula C22H19N5O3 and a molecular weight of 401.43 g/mol. Its IUPAC name is N-[4-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)oxolan-3-yl]-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)oxolan-3-yl]-1H-indole-5-carboxamide
PubChem CID126940248
Molecular FormulaC22H19N5O3
Molecular Weight401.43 g/mol
Exact Mass401.15
IUPAC NameN-[4-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)oxolan-3-yl]-1H-indole-5-carboxamide
SMILESO=C(NC1COCC1n1nc(-c2ccncc2)ccc1=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C22H19N5O3/c28-21-4-3-18(14-5-8-23-9-6-14)26-27(21)20-13-30-12-19(20)25-22(29)16-1-2-17-15(11-16)7-10-24-17/h1-11,19-20,24H,12-13H2,(H,25,29)
InChIKeyAFRSYJBVWVIVEB-UHFFFAOYSA-N
XLogP2.16
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-1,3-thiazole-4-carboxamide
CID 126940053
N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide
CID 126940035
2-[4-(cyclopropylmethylamino)oxolan-3-yl]-6-pyridin-4-ylpyridazin-3-one
CID 126940299
N-[4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]oxolan-3-yl]pyrazine-2-carboxamide
CID 126939844
N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]quinoline-6-carboxamide
CID 126938792
6-pyridin-4-yl-2-[4-(pyrido[2,3-d]pyrimidin-4-ylamino)oxolan-3-yl]pyridazin-3-one
CID 126940401
2-methyl-N-[4-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)cyclohexyl]-3H-benzimidazole-5-carboxamide
CID 126936608
N-[4-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)oxolan-3-yl]quinoline-6-carboxamide
CID 126940448
7-methoxy-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide
CID 126940029
N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]-1H-indole-4-carboxamide
CID 126938795
5-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]thiophene-2-carboxamide
CID 126940065
2-[4-[(2-chloro-3-methoxyphenyl)methylamino]oxolan-3-yl]-6-pyridin-4-ylpyridazin-3-one
CID 126940339

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)oxolan-3-yl]-1H-indole-5-carboxamide?
The IUPAC name of N-[4-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)oxolan-3-yl]-1H-indole-5-carboxamide (CID 126940248) is N-[4-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)oxolan-3-yl]-1H-indole-5-carboxamide.
What is the SMILES notation for N-[4-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)oxolan-3-yl]-1H-indole-5-carboxamide?
The canonical SMILES for N-[4-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)oxolan-3-yl]-1H-indole-5-carboxamide is O=C(NC1COCC1n1nc(-c2ccncc2)ccc1=O)c1ccc2[nH]ccc2c1.
What is the InChIKey of N-[4-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)oxolan-3-yl]-1H-indole-5-carboxamide?
The InChIKey is AFRSYJBVWVIVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3/c28-21-4-3-18(14-5-8-23-9-6-14)26-27(21)20-13-30-12-19(20)25-22(29)16-1-2-17-15(11-16)7-10-24-17/h1-11,19-20,24H,12-13H2,(H,25,29).
What are the key properties of N-[4-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)oxolan-3-yl]-1H-indole-5-carboxamide?
N-[4-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)oxolan-3-yl]-1H-indole-5-carboxamide has a molecular weight of 401.43 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)oxolan-3-yl]-1H-indole-5-carboxamide is sourced from PubChem (CID 126940248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).