5-[6-chloro-5-[(1S)-2-(3-fluoro-4-pyridinyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione

C16H11ClFN5O2 — CID 166999435

IUPAC5-[6-chloro-5-[(1S)-2-(3-fluoro-4-pyridinyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2cc([C@H]3CC3c3ccncc3F)c(Cl)nn2)c(=O)[nH]1
InChIInChI=1S/C16H11ClFN5O2/c17-14-10(9-3-8(9)7-1-2-19-6-12(7)18)4-13(22-23-14)11-5-20-16(25)21-15(11)24/h1-2,4-6,8-9H,3H2,(H2,20,21,24,25)/t8?,9-/m0/s1
InChIKeyWBKKJDKBAUMAMV-GKAPJAKFSA-N
MW359.75 g/mol
LogP1.98
Rot. Bonds3

About 5-[6-chloro-5-[(1S)-2-(3-fluoro-4-pyridinyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione

5-[6-chloro-5-[(1S)-2-(3-fluoro-4-pyridinyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione (PubChem CID 166999435) has the molecular formula C16H11ClFN5O2 and a molecular weight of 359.75 g/mol. Its IUPAC name is 5-[6-chloro-5-[(1S)-2-(3-fluoro-4-pyridinyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[6-chloro-5-[(1S)-2-(3-fluoro-4-pyridinyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
PubChem CID166999435
Molecular FormulaC16H11ClFN5O2
Molecular Weight359.75 g/mol
Exact Mass359.06
IUPAC Name5-[6-chloro-5-[(1S)-2-(3-fluoro-4-pyridinyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2cc([C@H]3CC3c3ccncc3F)c(Cl)nn2)c(=O)[nH]1
InChIInChI=1S/C16H11ClFN5O2/c17-14-10(9-3-8(9)7-1-2-19-6-12(7)18)4-13(22-23-14)11-5-20-16(25)21-15(11)24/h1-2,4-6,8-9H,3H2,(H2,20,21,24,25)/t8?,9-/m0/s1
InChIKeyWBKKJDKBAUMAMV-GKAPJAKFSA-N
XLogP1.98
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.75
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[6-chloro-5-[(1S)-2-(3-fluoro-4-pyridinyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US10710967, Example 155
CID 155883374
US10710967, Example 228
CID 155883445
3-Chloro-6-pyridin-4-yl-pyridazine-4-carboxylic acid benzylamide
CID 44264332
3-Chloro-6-pyridin-4-yl-pyridazine-4-carboxylic acid methylamide
CID 44264309
4-[4-[3-(2-chloro-3-pyridinyl)pyrrolidine-1-carbonyl]-5-cyclopropylpyrazol-1-yl]-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 58838402
N-[4-(3-fluorophenyl)-7-methyl-2-azabicyclo[4.1.0]hepta-2,4-dien-1-yl]-2-(6-pyridazin-4-yl-3-pyridinyl)acetamide
CID 91154766
2,6-dichloro-N-[(2-cyclopropyl-4-methyl-3-pyridinyl)carbamoyl]-5-fluoropyridine-3-carboxamide
CID 135378706
6-(4-Chloro-6-methylpyridine-2-carbonyl)-1-[(2-fluoro-4-pyridinyl)methyl]-5-propan-2-ylpyrimidine-2,4-dione
CID 142691153
3-chloro-4-fluoro-N-[(4-pyridin-2-ylpiperidin-1-yl)methyl]benzamide
CID 152751430
5-[5-[1-[(2,4-difluorophenyl)methyl]pyrrol-3-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
CID 162433973
5-[5-[1-[[4-(difluoromethyl)phenyl]methyl]pyrrol-3-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
CID 162433975
5-[6-methyl-5-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-3-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
CID 162433995

Frequently Asked Questions

What is the IUPAC name of 5-[6-chloro-5-[(1S)-2-(3-fluoro-4-pyridinyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[6-chloro-5-[(1S)-2-(3-fluoro-4-pyridinyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione (CID 166999435) is 5-[6-chloro-5-[(1S)-2-(3-fluoro-4-pyridinyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[6-chloro-5-[(1S)-2-(3-fluoro-4-pyridinyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[6-chloro-5-[(1S)-2-(3-fluoro-4-pyridinyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione is O=c1[nH]cc(-c2cc([C@H]3CC3c3ccncc3F)c(Cl)nn2)c(=O)[nH]1.
What is the InChIKey of 5-[6-chloro-5-[(1S)-2-(3-fluoro-4-pyridinyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is WBKKJDKBAUMAMV-GKAPJAKFSA-N. The full InChI is InChI=1S/C16H11ClFN5O2/c17-14-10(9-3-8(9)7-1-2-19-6-12(7)18)4-13(22-23-14)11-5-20-16(25)21-15(11)24/h1-2,4-6,8-9H,3H2,(H2,20,21,24,25)/t8?,9-/m0/s1.
What are the key properties of 5-[6-chloro-5-[(1S)-2-(3-fluoro-4-pyridinyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
5-[6-chloro-5-[(1S)-2-(3-fluoro-4-pyridinyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 359.75 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-chloro-5-[(1S)-2-(3-fluoro-4-pyridinyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 166999435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).