4-fluoro-N-[1-[4-(6-methoxypyridazin-3-yl)benzoyl]pyrrolidin-3-yl]benzamide

C23H21FN4O3 — CID 134801461

IUPAC4-fluoro-N-[1-[4-(6-methoxypyridazin-3-yl)benzoyl]pyrrolidin-3-yl]benzamide
SMILESCOc1ccc(-c2ccc(C(=O)N3CCC(NC(=O)c4ccc(F)cc4)C3)cc2)nn1
InChIInChI=1S/C23H21FN4O3/c1-31-21-11-10-20(26-27-21)15-2-4-17(5-3-15)23(30)28-13-12-19(14-28)25-22(29)16-6-8-18(24)9-7-16/h2-11,19H,12-14H2,1H3,(H,25,29)
InChIKeyKGRRFEWVCDLYCD-UHFFFAOYSA-N
MW420.44 g/mol
LogP2.94
Rot. Bonds5

About 4-fluoro-N-[1-[4-(6-methoxypyridazin-3-yl)benzoyl]pyrrolidin-3-yl]benzamide

4-fluoro-N-[1-[4-(6-methoxypyridazin-3-yl)benzoyl]pyrrolidin-3-yl]benzamide (PubChem CID 134801461) has the molecular formula C23H21FN4O3 and a molecular weight of 420.44 g/mol. Its IUPAC name is 4-fluoro-N-[1-[4-(6-methoxypyridazin-3-yl)benzoyl]pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[1-[4-(6-methoxypyridazin-3-yl)benzoyl]pyrrolidin-3-yl]benzamide
PubChem CID134801461
Molecular FormulaC23H21FN4O3
Molecular Weight420.44 g/mol
Exact Mass420.16
IUPAC Name4-fluoro-N-[1-[4-(6-methoxypyridazin-3-yl)benzoyl]pyrrolidin-3-yl]benzamide
SMILESCOc1ccc(-c2ccc(C(=O)N3CCC(NC(=O)c4ccc(F)cc4)C3)cc2)nn1
InChIInChI=1S/C23H21FN4O3/c1-31-21-11-10-20(26-27-21)15-2-4-17(5-3-15)23(30)28-13-12-19(14-28)25-22(29)16-6-8-18(24)9-7-16/h2-11,19H,12-14H2,1H3,(H,25,29)
InChIKeyKGRRFEWVCDLYCD-UHFFFAOYSA-N
XLogP2.94
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S,4R)-3-fluoro-1-(oxan-4-yl)piperidin-4-yl]-4-[[(4S)-4-methyl-2-oxopyrrolidin-1-yl]methyl]-3-[4-(6-propan-2-ylpyridazin-3-yl)phenoxy]benzamide
CID 91972003
N-(3-methoxybenzyl)-5-(3-methoxyphenyl)-1H-pyrazole-3-carboxamide
CID 16022629
(4-fluorophenyl)[3-(4-methoxyphenyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 17582182
2,5-Difluoro-N-{2-[2-(3-methoxyphenyl)-4-oxo-4H,5H-pyrazolo[1,5-A]pyrazin-5-YL]ethyl}benzamide
CID 91892897
N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-pyridazin-4-ylbenzamide
CID 155557555
US11254676, Example 49
CID 138473539
US11254676, Example 45
CID 138473585
3-Fluoro-N-{2-[2-(4-methoxyphenyl)-4-oxo-4H,5H-pyrazolo[1,5-A]pyrazin-5-YL]ethyl}-4-methylbenzamide
CID 91892689
5-(3-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]-1H-pyrazole-3-carboxamide
CID 16022625
N-benzyl-5-(3-methoxyphenyl)-1H-pyrazole-3-carboxamide
CID 16034737
1-{[3-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl}-4-(3-methoxybenzoyl)piperazine
CID 16190351
(2-fluorophenyl)-[4-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]methanone
CID 20910912

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-[4-(6-methoxypyridazin-3-yl)benzoyl]pyrrolidin-3-yl]benzamide?
The IUPAC name of 4-fluoro-N-[1-[4-(6-methoxypyridazin-3-yl)benzoyl]pyrrolidin-3-yl]benzamide (CID 134801461) is 4-fluoro-N-[1-[4-(6-methoxypyridazin-3-yl)benzoyl]pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[1-[4-(6-methoxypyridazin-3-yl)benzoyl]pyrrolidin-3-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[1-[4-(6-methoxypyridazin-3-yl)benzoyl]pyrrolidin-3-yl]benzamide is COc1ccc(-c2ccc(C(=O)N3CCC(NC(=O)c4ccc(F)cc4)C3)cc2)nn1.
What is the InChIKey of 4-fluoro-N-[1-[4-(6-methoxypyridazin-3-yl)benzoyl]pyrrolidin-3-yl]benzamide?
The InChIKey is KGRRFEWVCDLYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O3/c1-31-21-11-10-20(26-27-21)15-2-4-17(5-3-15)23(30)28-13-12-19(14-28)25-22(29)16-6-8-18(24)9-7-16/h2-11,19H,12-14H2,1H3,(H,25,29).
What are the key properties of 4-fluoro-N-[1-[4-(6-methoxypyridazin-3-yl)benzoyl]pyrrolidin-3-yl]benzamide?
4-fluoro-N-[1-[4-(6-methoxypyridazin-3-yl)benzoyl]pyrrolidin-3-yl]benzamide has a molecular weight of 420.44 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-[4-(6-methoxypyridazin-3-yl)benzoyl]pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 134801461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).