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

C18H11ClFN5O2 — CID 170014892

IUPAC5-[6-chloro-5-[(1S,2S)-2-[2-(5-fluoro-2-pyridinyl)ethynyl]cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2cc([C@H]3C[C@@H]3C#Cc3ccc(F)cn3)c(Cl)nn2)c(=O)[nH]1
InChIInChI=1S/C18H11ClFN5O2/c19-16-13(6-15(24-25-16)14-8-22-18(27)23-17(14)26)12-5-9(12)1-3-11-4-2-10(20)7-21-11/h2,4,6-9,12H,5H2,(H2,22,23,26,27)/t9-,12-/m0/s1
InChIKeyZYPUDNPYXPVHAZ-CABZTGNLSA-N
MW383.77 g/mol
LogP1.86
Rot. Bonds2

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

5-[6-chloro-5-[(1S,2S)-2-[2-(5-fluoro-2-pyridinyl)ethynyl]cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione (PubChem CID 170014892) has the molecular formula C18H11ClFN5O2 and a molecular weight of 383.77 g/mol. Its IUPAC name is 5-[6-chloro-5-[(1S,2S)-2-[2-(5-fluoro-2-pyridinyl)ethynyl]cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[6-chloro-5-[(1S,2S)-2-[2-(5-fluoro-2-pyridinyl)ethynyl]cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
PubChem CID170014892
Molecular FormulaC18H11ClFN5O2
Molecular Weight383.77 g/mol
Exact Mass383.06
IUPAC Name5-[6-chloro-5-[(1S,2S)-2-[2-(5-fluoro-2-pyridinyl)ethynyl]cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2cc([C@H]3C[C@@H]3C#Cc3ccc(F)cn3)c(Cl)nn2)c(=O)[nH]1
InChIInChI=1S/C18H11ClFN5O2/c19-16-13(6-15(24-25-16)14-8-22-18(27)23-17(14)26)12-5-9(12)1-3-11-4-2-10(20)7-21-11/h2,4,6-9,12H,5H2,(H2,22,23,26,27)/t9-,12-/m0/s1
InChIKeyZYPUDNPYXPVHAZ-CABZTGNLSA-N
XLogP1.86
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.77
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 5-[6-chloro-5-[(1S,2S)-2-[2-(5-fluoro-2-pyridinyl)ethynyl]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 221
CID 155883438
US10710967, Example 228
CID 155883445
US10710967, Example 234
CID 155883450
3-Chloro-6-pyridin-4-yl-pyridazine-4-carboxylic acid benzylamide
CID 44264332
5-[5-[1-[(2,4-difluorophenyl)methyl]pyrrol-3-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
CID 162433973
5-[4-[(1S,2S)-2-(difluoromethyl)cyclopropyl]pyrrolo[1,2-b]pyridazin-2-yl]-1H-pyrimidine-2,4-dione
CID 163216765
5-[7-chloro-4-[(1S,2S)-2-(difluoromethyl)cyclopropyl]pyrrolo[1,2-b]pyridazin-2-yl]-1H-pyrimidine-2,4-dione
CID 163216793
5-[5-fluoro-4-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]pyrrolo[1,2-b]pyridazin-2-yl]-1H-pyrimidine-2,4-dione
CID 163394403
5-[5-fluoro-4-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]pyrrolo[1,2-b]pyridazin-2-yl]-1H-pyrimidine-2,4-dione
CID 163394404
5-[4-[(1S,2S)-2-ethylcyclopropyl]-5-fluoropyrrolo[1,2-b]pyridazin-2-yl]-1H-pyrimidine-2,4-dione
CID 163394425
5-[4-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]pyrrolo[1,2-b]pyridazin-2-yl]-1H-pyrimidine-2,4-dione
CID 163394439
5-[5-fluoro-4-[2-(trifluoromethyl)cyclopropyl]pyrrolo[1,2-b]pyridazin-2-yl]-1H-pyrimidine-2,4-dione
CID 163394447

Frequently Asked Questions

What is the IUPAC name of 5-[6-chloro-5-[(1S,2S)-2-[2-(5-fluoro-2-pyridinyl)ethynyl]cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[6-chloro-5-[(1S,2S)-2-[2-(5-fluoro-2-pyridinyl)ethynyl]cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione (CID 170014892) is 5-[6-chloro-5-[(1S,2S)-2-[2-(5-fluoro-2-pyridinyl)ethynyl]cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[6-chloro-5-[(1S,2S)-2-[2-(5-fluoro-2-pyridinyl)ethynyl]cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[6-chloro-5-[(1S,2S)-2-[2-(5-fluoro-2-pyridinyl)ethynyl]cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione is O=c1[nH]cc(-c2cc([C@H]3C[C@@H]3C#Cc3ccc(F)cn3)c(Cl)nn2)c(=O)[nH]1.
What is the InChIKey of 5-[6-chloro-5-[(1S,2S)-2-[2-(5-fluoro-2-pyridinyl)ethynyl]cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is ZYPUDNPYXPVHAZ-CABZTGNLSA-N. The full InChI is InChI=1S/C18H11ClFN5O2/c19-16-13(6-15(24-25-16)14-8-22-18(27)23-17(14)26)12-5-9(12)1-3-11-4-2-10(20)7-21-11/h2,4,6-9,12H,5H2,(H2,22,23,26,27)/t9-,12-/m0/s1.
What are the key properties of 5-[6-chloro-5-[(1S,2S)-2-[2-(5-fluoro-2-pyridinyl)ethynyl]cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
5-[6-chloro-5-[(1S,2S)-2-[2-(5-fluoro-2-pyridinyl)ethynyl]cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 383.77 g/mol, XLogP of 1.86, 2 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,2S)-2-[2-(5-fluoro-2-pyridinyl)ethynyl]cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 170014892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).