5-[8-(1-methylpyrazol-3-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione

C14H11N7O2 — CID 157035026

IUPAC5-[8-(1-methylpyrazol-3-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
SMILESCn1ccc(-c2cc(-c3c[nH]c(=O)[nH]c3=O)nn3ccnc23)n1
InChIInChI=1S/C14H11N7O2/c1-20-4-2-10(18-20)8-6-11(19-21-5-3-15-12(8)21)9-7-16-14(23)17-13(9)22/h2-7H,1H3,(H2,16,17,22,23)
InChIKeyCAUJYUUJIIOCAL-UHFFFAOYSA-N
MW309.29 g/mol
LogP0.17
Rot. Bonds2

About 5-[8-(1-methylpyrazol-3-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione

5-[8-(1-methylpyrazol-3-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione (PubChem CID 157035026) has the molecular formula C14H11N7O2 and a molecular weight of 309.29 g/mol. Its IUPAC name is 5-[8-(1-methylpyrazol-3-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[8-(1-methylpyrazol-3-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
PubChem CID157035026
Molecular FormulaC14H11N7O2
Molecular Weight309.29 g/mol
Exact Mass309.10
IUPAC Name5-[8-(1-methylpyrazol-3-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
SMILESCn1ccc(-c2cc(-c3c[nH]c(=O)[nH]c3=O)nn3ccnc23)n1
InChIInChI=1S/C14H11N7O2/c1-20-4-2-10(18-20)8-6-11(19-21-5-3-15-12(8)21)9-7-16-14(23)17-13(9)22/h2-7H,1H3,(H2,16,17,22,23)
InChIKeyCAUJYUUJIIOCAL-UHFFFAOYSA-N
XLogP0.17
TPSA113.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

CID 157032361
CID 157032361
5-[8-(2,2-difluorocyclopropyl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 163394455
5-[8-[(1S,2S)-2-pyridin-2-ylcyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157033222
5-[8-(4-methylpiperidin-1-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 166827575
5-[8-[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157034421
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-(2,2-difluoro-2-pyridin-2-ylethoxy)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157032791
5-[8-[3-(difluoromethyl)-3-methylazetidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157035179
5-[8-[(2S)-2-fluoro-2-phenylcyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157033518
5-[8-(7,7-difluoro-2-azaspiro[3.3]heptan-2-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157032251
5-[8-[(1R,2R)-2-(4-chloro-3-fluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157034901

Frequently Asked Questions

What is the IUPAC name of 5-[8-(1-methylpyrazol-3-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[8-(1-methylpyrazol-3-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione (CID 157035026) is 5-[8-(1-methylpyrazol-3-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[8-(1-methylpyrazol-3-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[8-(1-methylpyrazol-3-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione is Cn1ccc(-c2cc(-c3c[nH]c(=O)[nH]c3=O)nn3ccnc23)n1.
What is the InChIKey of 5-[8-(1-methylpyrazol-3-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is CAUJYUUJIIOCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N7O2/c1-20-4-2-10(18-20)8-6-11(19-21-5-3-15-12(8)21)9-7-16-14(23)17-13(9)22/h2-7H,1H3,(H2,16,17,22,23).
What are the key properties of 5-[8-(1-methylpyrazol-3-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?
5-[8-(1-methylpyrazol-3-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 309.29 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-(1-methylpyrazol-3-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 157035026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).