3-(2-methoxyethyl)-1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidine-3-carboxylic acid

C20H24N4O3 — CID 167755190

IUPAC3-(2-methoxyethyl)-1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
SMILESCOCCC1(C(=O)O)CCN(c2nc(-c3cccnc3)nc3c2CCC3)C1
InChIInChI=1S/C20H24N4O3/c1-27-11-8-20(19(25)26)7-10-24(13-20)18-15-5-2-6-16(15)22-17(23-18)14-4-3-9-21-12-14/h3-4,9,12H,2,5-8,10-11,13H2,1H3,(H,25,26)
InChIKeyKZIQXKAMPNXFQB-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.34
Rot. Bonds6

About 3-(2-methoxyethyl)-1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidine-3-carboxylic acid

3-(2-methoxyethyl)-1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidine-3-carboxylic acid (PubChem CID 167755190) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-(2-methoxyethyl)-1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
PubChem CID167755190
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name3-(2-methoxyethyl)-1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
SMILESCOCCC1(C(=O)O)CCN(c2nc(-c3cccnc3)nc3c2CCC3)C1
InChIInChI=1S/C20H24N4O3/c1-27-11-8-20(19(25)26)7-10-24(13-20)18-15-5-2-6-16(15)22-17(23-18)14-4-3-9-21-12-14/h3-4,9,12H,2,5-8,10-11,13H2,1H3,(H,25,26)
InChIKeyKZIQXKAMPNXFQB-UHFFFAOYSA-N
XLogP2.34
TPSA88.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3aS,6aR)-2-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122063361
3-methoxy-1-(2-pyridin-3-ylquinazolin-4-yl)pyrrolidine-3-carboxylic acid
CID 167777227
4-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 166225634
2,2-dimethyl-N-[1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]propanamide
CID 166225591
3-(2-methoxyethyl)-1-pyridazin-3-ylpiperidine-3-carboxylic acid
CID 86283726
ethyl 3-methyl-1-(10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)pyrrolidine-3-carboxylate
CID 133387229
[3-(methoxymethyl)-1-(2-pyridin-3-ylquinazolin-4-yl)pyrrolidin-3-yl]methanol
CID 166235551
methyl 3-methyl-1-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidine-3-carboxylate
CID 133362775
(3R)-3-(2-methoxyethyl)-1-(3-methoxypyrazin-2-yl)piperidine-3-carboxylic acid
CID 97128634
4-ethyl-2-[1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-1,3-thiazole
CID 166225649
4-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 86966525
[4-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-pyrimidin-4-ylmethanone
CID 56702625

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-(2-methoxyethyl)-1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidine-3-carboxylic acid (CID 167755190) is 3-(2-methoxyethyl)-1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-(2-methoxyethyl)-1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-(2-methoxyethyl)-1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidine-3-carboxylic acid is COCCC1(C(=O)O)CCN(c2nc(-c3cccnc3)nc3c2CCC3)C1.
What is the InChIKey of 3-(2-methoxyethyl)-1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is KZIQXKAMPNXFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-27-11-8-20(19(25)26)7-10-24(13-20)18-15-5-2-6-16(15)22-17(23-18)14-4-3-9-21-12-14/h3-4,9,12H,2,5-8,10-11,13H2,1H3,(H,25,26).
What are the key properties of 3-(2-methoxyethyl)-1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
3-(2-methoxyethyl)-1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 368.44 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 167755190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).