5-[8-[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione

C20H17N5O3 — CID 157034421

IUPAC5-[8-[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
SMILESCOc1ccccc1[C@@H]1C[C@H]1c1cc(-c2c[nH]c(=O)[nH]c2=O)nn2ccnc12
InChIInChI=1S/C20H17N5O3/c1-28-17-5-3-2-4-11(17)12-8-13(12)14-9-16(24-25-7-6-21-18(14)25)15-10-22-20(27)23-19(15)26/h2-7,9-10,12-13H,8H2,1H3,(H2,22,23,26,27)/t12-,13+/m0/s1
InChIKeyZFXMPNQUGLCPKF-QWHCGFSZSA-N
MW375.39 g/mol
LogP2.05
Rot. Bonds4

About 5-[8-[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione

5-[8-[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione (PubChem CID 157034421) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is 5-[8-[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[8-[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
PubChem CID157034421
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC Name5-[8-[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
SMILESCOc1ccccc1[C@@H]1C[C@H]1c1cc(-c2c[nH]c(=O)[nH]c2=O)nn2ccnc12
InChIInChI=1S/C20H17N5O3/c1-28-17-5-3-2-4-11(17)12-8-13(12)14-9-16(24-25-7-6-21-18(14)25)15-10-22-20(27)23-19(15)26/h2-7,9-10,12-13H,8H2,1H3,(H2,22,23,26,27)/t12-,13+/m0/s1
InChIKeyZFXMPNQUGLCPKF-QWHCGFSZSA-N
XLogP2.05
TPSA105.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[8-[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-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

5-[8-[(1S,2S)-2-(2-fluoro-3-methylphenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 166827133
5-[8-[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157034809
5-[8-[(1S,2S)-2-(3,5-difluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157032884
6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S)-2-(2-methoxyphenyl)cyclopropyl]imidazo[1,2-b]pyridazine
CID 166827416
5-[8-[(1S,2S)-2-(2,3,6-trifluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157034380
5-[8-[(1R,2R)-2-(4-chloro-3-fluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157034901
5-[8-[(2R)-2-[6-(trifluoromethyl)-3-pyridinyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157034079
5-[8-[(2S)-2-fluoro-2-phenylcyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157033518
5-[8-(2,2-difluorocyclopropyl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 163394455
5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;difluoromethylbenzene
CID 157034335
4-[[(1S,2R)-2-[6-(2,4-dioxo-1H-pyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropyl]methyl]benzonitrile
CID 157033887
CID 157032361
CID 157032361

Frequently Asked Questions

What is the IUPAC name of 5-[8-[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[8-[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione (CID 157034421) is 5-[8-[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[8-[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[8-[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione is COc1ccccc1[C@@H]1C[C@H]1c1cc(-c2c[nH]c(=O)[nH]c2=O)nn2ccnc12.
What is the InChIKey of 5-[8-[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is ZFXMPNQUGLCPKF-QWHCGFSZSA-N. The full InChI is InChI=1S/C20H17N5O3/c1-28-17-5-3-2-4-11(17)12-8-13(12)14-9-16(24-25-7-6-21-18(14)25)15-10-22-20(27)23-19(15)26/h2-7,9-10,12-13H,8H2,1H3,(H2,22,23,26,27)/t12-,13+/m0/s1.
What are the key properties of 5-[8-[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?
5-[8-[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 375.39 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 157034421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).