N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

C17H17N5O3 — CID 126938910

IUPACN-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCc1ccc(=O)n(C2COCC2NC(=O)c2c[nH]c3ncccc23)n1
InChIInChI=1S/C17H17N5O3/c1-10-4-5-15(23)22(21-10)14-9-25-8-13(14)20-17(24)12-7-19-16-11(12)3-2-6-18-16/h2-7,13-14H,8-9H2,1H3,(H,18,19)(H,20,24)
InChIKeyYFZRFPLKDJOHHC-UHFFFAOYSA-N
MW339.36 g/mol
LogP0.80
Rot. Bonds3

About N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 126938910) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID126938910
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC NameN-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCc1ccc(=O)n(C2COCC2NC(=O)c2c[nH]c3ncccc23)n1
InChIInChI=1S/C17H17N5O3/c1-10-4-5-15(23)22(21-10)14-9-25-8-13(14)20-17(24)12-7-19-16-11(12)3-2-6-18-16/h2-7,13-14H,8-9H2,1H3,(H,18,19)(H,20,24)
InChIKeyYFZRFPLKDJOHHC-UHFFFAOYSA-N
XLogP0.80
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]-1H-indole-4-carboxamide
CID 126938795
N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]quinoline-6-carboxamide
CID 126938792
N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]indolizine-2-carboxamide
CID 126938783
5-bromo-N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]thiophene-2-carboxamide
CID 126938917
2-methyl-N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 126938763
N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide
CID 126938758
N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 126935209
2-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-1,3-thiazole-4-carboxamide
CID 126940053
6-[[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]amino]pyridine-3-carbonitrile
CID 126938812
N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 11231449
5-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]thiophene-2-carboxamide
CID 126940065
2-[4-[(3-chloro-4-pyridinyl)amino]oxolan-3-yl]-6-methylpyridazin-3-one
CID 126938814

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (CID 126938910) is N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is Cc1ccc(=O)n(C2COCC2NC(=O)c2c[nH]c3ncccc23)n1.
What is the InChIKey of N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is YFZRFPLKDJOHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-10-4-5-15(23)22(21-10)14-9-25-8-13(14)20-17(24)12-7-19-16-11(12)3-2-6-18-16/h2-7,13-14H,8-9H2,1H3,(H,18,19)(H,20,24).
What are the key properties of N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 339.36 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 126938910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).