N-[(3S)-1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]furan-2-carboxamide

C19H17FN4O2 — CID 97042277

IUPACN-[(3S)-1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]furan-2-carboxamide
SMILESO=C(N[C@H]1CCN(c2ccc(-c3ccccc3F)nn2)C1)c1ccco1
InChIInChI=1S/C19H17FN4O2/c20-15-5-2-1-4-14(15)16-7-8-18(23-22-16)24-10-9-13(12-24)21-19(25)17-6-3-11-26-17/h1-8,11,13H,9-10,12H2,(H,21,25)/t13-/m0/s1
InChIKeyJDWUGELGIRKCCE-ZDUSSCGKSA-N
MW352.37 g/mol
LogP2.88
Rot. Bonds4

About N-[(3S)-1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]furan-2-carboxamide

N-[(3S)-1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]furan-2-carboxamide (PubChem CID 97042277) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is N-[(3S)-1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]furan-2-carboxamide
PubChem CID97042277
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC NameN-[(3S)-1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]furan-2-carboxamide
SMILESO=C(N[C@H]1CCN(c2ccc(-c3ccccc3F)nn2)C1)c1ccco1
InChIInChI=1S/C19H17FN4O2/c20-15-5-2-1-4-14(15)16-7-8-18(23-22-16)24-10-9-13(12-24)21-19(25)17-6-3-11-26-17/h1-8,11,13H,9-10,12H2,(H,21,25)/t13-/m0/s1
InChIKeyJDWUGELGIRKCCE-ZDUSSCGKSA-N
XLogP2.88
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(furan-2-ylcarbonyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 11384622
N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]furan-2-carboxamide
CID 7422386
N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]furan-2-carboxamide
CID 7593466
{4-[2-(3-Fluoro-phenyl)-5,6-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl]-piperazin-1-yl}-furan-2-yl-methanone
CID 1434724
Furan-2-carboxylic acid [2-(2-phenylcarbamoylmethyl-2H-tetrazol-5-yl)-phenyl]-amide
CID 648033
{4-[2-(3-Fluoro-phenyl)-5-methyl-pyrazolo[1,5-a]pyrimidin-7-yl]-piperazin-1-yl}-furan-2-yl-methanone
CID 648347
2-Fluoro-N-[2-(2-{[(furan-2-ylmethyl)-carbamoyl]-methyl}-2H-tetrazol-5-yl)-phenyl]-benzamide
CID 648374
5-p-Tolyl-7-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (furan-2-ylmethyl)-amide
CID 649030
Furan-2-carboxylic acid [2-(2-cyclohexylcarbamoylmethyl-2H-tetrazol-5-yl)-phenyl]-amide
CID 649082
Furan-2-carboxylic acid (2-{2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]-2H-tetrazol-5-yl}-phenyl)-amide
CID 651026
1-[4-(Furan-2-carbonyl)piperazin-1-YL]-4-phenylphthalazine
CID 6405276
N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]furan-2-carboxamide
CID 7422382

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]furan-2-carboxamide?
The IUPAC name of N-[(3S)-1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]furan-2-carboxamide (CID 97042277) is N-[(3S)-1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(3S)-1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]furan-2-carboxamide?
The canonical SMILES for N-[(3S)-1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]furan-2-carboxamide is O=C(N[C@H]1CCN(c2ccc(-c3ccccc3F)nn2)C1)c1ccco1.
What is the InChIKey of N-[(3S)-1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]furan-2-carboxamide?
The InChIKey is JDWUGELGIRKCCE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H17FN4O2/c20-15-5-2-1-4-14(15)16-7-8-18(23-22-16)24-10-9-13(12-24)21-19(25)17-6-3-11-26-17/h1-8,11,13H,9-10,12H2,(H,21,25)/t13-/m0/s1.
What are the key properties of N-[(3S)-1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]furan-2-carboxamide?
N-[(3S)-1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]furan-2-carboxamide has a molecular weight of 352.37 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl]furan-2-carboxamide is sourced from PubChem (CID 97042277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).