(2R)-1-[6-(2,3-dihydroindol-1-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid

C17H18N4O2 — CID 122051662

IUPAC(2R)-1-[6-(2,3-dihydroindol-1-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1c1cc(N2CCc3ccccc32)ncn1
InChIInChI=1S/C17H18N4O2/c22-17(23)14-6-3-8-20(14)15-10-16(19-11-18-15)21-9-7-12-4-1-2-5-13(12)21/h1-2,4-5,10-11,14H,3,6-9H2,(H,22,23)/t14-/m1/s1
InChIKeyJAEMEKUCSNJDBP-CQSZACIVSA-N
MW310.36 g/mol
LogP2.22
Rot. Bonds3

About (2R)-1-[6-(2,3-dihydroindol-1-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid

(2R)-1-[6-(2,3-dihydroindol-1-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid (PubChem CID 122051662) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is (2R)-1-[6-(2,3-dihydroindol-1-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[6-(2,3-dihydroindol-1-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid
PubChem CID122051662
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name(2R)-1-[6-(2,3-dihydroindol-1-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1c1cc(N2CCc3ccccc32)ncn1
InChIInChI=1S/C17H18N4O2/c22-17(23)14-6-3-8-20(14)15-10-16(19-11-18-15)21-9-7-12-4-1-2-5-13(12)21/h1-2,4-5,10-11,14H,3,6-9H2,(H,22,23)/t14-/m1/s1
InChIKeyJAEMEKUCSNJDBP-CQSZACIVSA-N
XLogP2.22
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 94074788
1-(6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 61225686
1-(6-fluoropyrimidin-4-yl)-2,3-dihydroindole
CID 115416366
(2S)-1-(6-propan-2-ylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 122059787
3-[[6-(2,3-dihydroindol-1-yl)pyrimidin-4-yl]-methylamino]-2-methylpropanoic acid
CID 122064676
2,3-dihydroindol-1-yl-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 133298996
6-(2,3-dihydroindol-1-yl)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 46179343
N-cyclohexyl-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4-carboxamide
CID 109342051
1-(6-methoxypyrimidin-4-yl)azocane-2-carboxylic acid
CID 114239764
6-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)pyrimidine-4-carboxamide
CID 109351828
[6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341707
N-cyclopropyl-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine
CID 112854768

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[6-(2,3-dihydroindol-1-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[6-(2,3-dihydroindol-1-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid (CID 122051662) is (2R)-1-[6-(2,3-dihydroindol-1-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[6-(2,3-dihydroindol-1-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[6-(2,3-dihydroindol-1-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1c1cc(N2CCc3ccccc32)ncn1.
What is the InChIKey of (2R)-1-[6-(2,3-dihydroindol-1-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid?
The InChIKey is JAEMEKUCSNJDBP-CQSZACIVSA-N. The full InChI is InChI=1S/C17H18N4O2/c22-17(23)14-6-3-8-20(14)15-10-16(19-11-18-15)21-9-7-12-4-1-2-5-13(12)21/h1-2,4-5,10-11,14H,3,6-9H2,(H,22,23)/t14-/m1/s1.
What are the key properties of (2R)-1-[6-(2,3-dihydroindol-1-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid?
(2R)-1-[6-(2,3-dihydroindol-1-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid has a molecular weight of 310.36 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[6-(2,3-dihydroindol-1-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 122051662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).