5-(1-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)imidazo[1,2-c]pyrimidine-7-carboxylic acid

C16H12N8O2 — CID 167972639

IUPAC5-(1-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)imidazo[1,2-c]pyrimidine-7-carboxylic acid
SMILESO=C(O)c1cc2nccn2c(N2Cc3cnn(-c4ncccn4)c3C2)n1
InChIInChI=1S/C16H12N8O2/c25-14(26)11-6-13-17-4-5-23(13)16(21-11)22-8-10-7-20-24(12(10)9-22)15-18-2-1-3-19-15/h1-7H,8-9H2,(H,25,26)
InChIKeyTYFOUCHPRMHZBO-UHFFFAOYSA-N
MW348.33 g/mol
LogP0.92
Rot. Bonds3

About 5-(1-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)imidazo[1,2-c]pyrimidine-7-carboxylic acid

5-(1-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)imidazo[1,2-c]pyrimidine-7-carboxylic acid (PubChem CID 167972639) has the molecular formula C16H12N8O2 and a molecular weight of 348.33 g/mol. Its IUPAC name is 5-(1-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)imidazo[1,2-c]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name5-(1-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)imidazo[1,2-c]pyrimidine-7-carboxylic acid
PubChem CID167972639
Molecular FormulaC16H12N8O2
Molecular Weight348.33 g/mol
Exact Mass348.11
IUPAC Name5-(1-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)imidazo[1,2-c]pyrimidine-7-carboxylic acid
SMILESO=C(O)c1cc2nccn2c(N2Cc3cnn(-c4ncccn4)c3C2)n1
InChIInChI=1S/C16H12N8O2/c25-14(26)11-6-13-17-4-5-23(13)16(21-11)22-8-10-7-20-24(12(10)9-22)15-18-2-1-3-19-15/h1-7H,8-9H2,(H,25,26)
InChIKeyTYFOUCHPRMHZBO-UHFFFAOYSA-N
XLogP0.92
TPSA114.33 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

5-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)imidazo[1,2-c]pyrimidine-7-carboxylic acid
CID 167780587
5-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]imidazo[1,2-c]pyrimidine-7-carboxylic acid
CID 167942127
5-[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]imidazo[1,2-c]pyrimidine-7-carboxylic acid
CID 167929901
5-[7-(hydroxymethyl)-5-azaspiro[3.4]octan-5-yl]imidazo[1,2-c]pyrimidine-7-carboxylic acid
CID 167885370
5-[(3,3-difluorocycloheptyl)amino]imidazo[1,2-c]pyrimidine-7-carboxylic acid
CID 167901004
5-[[4-(trifluoromethyl)cyclohexyl]amino]imidazo[1,2-c]pyrimidine-7-carboxylic acid
CID 167952304
1-pyrimidin-2-ylimidazole-2-carboxylic acid
CID 130640830
1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid
CID 90787566
2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazole-4-carboxylic acid
CID 80567945
2,2-diphenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 3636025
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 3412822
1-pyrimidin-2-yl-6,7-dihydro-5H-indazol-4-one
CID 65356666

Frequently Asked Questions

What is the IUPAC name of 5-(1-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)imidazo[1,2-c]pyrimidine-7-carboxylic acid?
The IUPAC name of 5-(1-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)imidazo[1,2-c]pyrimidine-7-carboxylic acid (CID 167972639) is 5-(1-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)imidazo[1,2-c]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 5-(1-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)imidazo[1,2-c]pyrimidine-7-carboxylic acid?
The canonical SMILES for 5-(1-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)imidazo[1,2-c]pyrimidine-7-carboxylic acid is O=C(O)c1cc2nccn2c(N2Cc3cnn(-c4ncccn4)c3C2)n1.
What is the InChIKey of 5-(1-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)imidazo[1,2-c]pyrimidine-7-carboxylic acid?
The InChIKey is TYFOUCHPRMHZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N8O2/c25-14(26)11-6-13-17-4-5-23(13)16(21-11)22-8-10-7-20-24(12(10)9-22)15-18-2-1-3-19-15/h1-7H,8-9H2,(H,25,26).
What are the key properties of 5-(1-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)imidazo[1,2-c]pyrimidine-7-carboxylic acid?
5-(1-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)imidazo[1,2-c]pyrimidine-7-carboxylic acid has a molecular weight of 348.33 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)imidazo[1,2-c]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 167972639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).