5-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4,6-dihydrofuro[2,3-c]pyrrole-3-carboxylic acid

C19H16N4O3 — CID 167745121

IUPAC5-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4,6-dihydrofuro[2,3-c]pyrrole-3-carboxylic acid
SMILESO=C(O)c1coc2c1CN(c1nc(-c3ccncc3)nc3c1CCC3)C2
InChIInChI=1S/C19H16N4O3/c24-19(25)14-10-26-16-9-23(8-13(14)16)18-12-2-1-3-15(12)21-17(22-18)11-4-6-20-7-5-11/h4-7,10H,1-3,8-9H2,(H,24,25)
InChIKeyYVDLGXFDVAIAAF-UHFFFAOYSA-N
MW348.36 g/mol
LogP2.84
Rot. Bonds3

About 5-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4,6-dihydrofuro[2,3-c]pyrrole-3-carboxylic acid

5-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4,6-dihydrofuro[2,3-c]pyrrole-3-carboxylic acid (PubChem CID 167745121) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is 5-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4,6-dihydrofuro[2,3-c]pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4,6-dihydrofuro[2,3-c]pyrrole-3-carboxylic acid
PubChem CID167745121
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name5-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4,6-dihydrofuro[2,3-c]pyrrole-3-carboxylic acid
SMILESO=C(O)c1coc2c1CN(c1nc(-c3ccncc3)nc3c1CCC3)C2
InChIInChI=1S/C19H16N4O3/c24-19(25)14-10-26-16-9-23(8-13(14)16)18-12-2-1-3-15(12)21-17(22-18)11-4-6-20-7-5-11/h4-7,10H,1-3,8-9H2,(H,24,25)
InChIKeyYVDLGXFDVAIAAF-UHFFFAOYSA-N
XLogP2.84
TPSA92.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4,6-dihydrofuro[2,3-c]pyrrole-3-carboxylic acid with MolForge

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Related Compounds

4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)thiomorpholine
CID 53192919
4-[4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]benzamide
CID 133307482
5-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-4,6-dihydrofuro[2,3-c]pyrrole-3-carboxylic acid
CID 167993068
2-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,2-oxazolidine
CID 75484714
[4-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-pyrimidin-4-ylmethanone
CID 56702625
(3aS,6aR)-1-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-3a-carboxylic acid
CID 166249381
5,8-dimethoxy-2-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-4-ol
CID 86884084
4-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 86966525
(9aS)-2-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 100897294
2-(furan-2-yl)-4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholine
CID 133347022
3-[[4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole
CID 133326212
1-phenoxy-3-[4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol
CID 86934748

Frequently Asked Questions

What is the IUPAC name of 5-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4,6-dihydrofuro[2,3-c]pyrrole-3-carboxylic acid?
The IUPAC name of 5-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4,6-dihydrofuro[2,3-c]pyrrole-3-carboxylic acid (CID 167745121) is 5-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4,6-dihydrofuro[2,3-c]pyrrole-3-carboxylic acid.
What is the SMILES notation for 5-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4,6-dihydrofuro[2,3-c]pyrrole-3-carboxylic acid?
The canonical SMILES for 5-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4,6-dihydrofuro[2,3-c]pyrrole-3-carboxylic acid is O=C(O)c1coc2c1CN(c1nc(-c3ccncc3)nc3c1CCC3)C2.
What is the InChIKey of 5-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4,6-dihydrofuro[2,3-c]pyrrole-3-carboxylic acid?
The InChIKey is YVDLGXFDVAIAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c24-19(25)14-10-26-16-9-23(8-13(14)16)18-12-2-1-3-15(12)21-17(22-18)11-4-6-20-7-5-11/h4-7,10H,1-3,8-9H2,(H,24,25).
What are the key properties of 5-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4,6-dihydrofuro[2,3-c]pyrrole-3-carboxylic acid?
5-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4,6-dihydrofuro[2,3-c]pyrrole-3-carboxylic acid has a molecular weight of 348.36 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4,6-dihydrofuro[2,3-c]pyrrole-3-carboxylic acid is sourced from PubChem (CID 167745121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).