2-[(R)-methoxy-[1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl]-1H-indole-5-carboxylic acid

C20H20N6O3 — CID 118952955

IUPAC2-[(R)-methoxy-[1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl]-1H-indole-5-carboxylic acid
SMILESCO[C@@H](c1cc2cc(C(=O)O)ccc2[nH]1)C1CCCN1c1ccnc2ncnn12
InChIInChI=1S/C20H20N6O3/c1-29-18(15-10-13-9-12(19(27)28)4-5-14(13)24-15)16-3-2-8-25(16)17-6-7-21-20-22-11-23-26(17)20/h4-7,9-11,16,18,24H,2-3,8H2,1H3,(H,27,28)/t16?,18-/m0/s1
InChIKeyPETLUGILLNXKMJ-DAFXYXGESA-N
MW392.42 g/mol
LogP2.66
Rot. Bonds5

About 2-[(R)-methoxy-[1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl]-1H-indole-5-carboxylic acid

2-[(R)-methoxy-[1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl]-1H-indole-5-carboxylic acid (PubChem CID 118952955) has the molecular formula C20H20N6O3 and a molecular weight of 392.42 g/mol. Its IUPAC name is 2-[(R)-methoxy-[1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl]-1H-indole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(R)-methoxy-[1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl]-1H-indole-5-carboxylic acid
PubChem CID118952955
Molecular FormulaC20H20N6O3
Molecular Weight392.42 g/mol
Exact Mass392.16
IUPAC Name2-[(R)-methoxy-[1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl]-1H-indole-5-carboxylic acid
SMILESCO[C@@H](c1cc2cc(C(=O)O)ccc2[nH]1)C1CCCN1c1ccnc2ncnn12
InChIInChI=1S/C20H20N6O3/c1-29-18(15-10-13-9-12(19(27)28)4-5-14(13)24-15)16-3-2-8-25(16)17-6-7-21-20-22-11-23-26(17)20/h4-7,9-11,16,18,24H,2-3,8H2,1H3,(H,27,28)/t16?,18-/m0/s1
InChIKeyPETLUGILLNXKMJ-DAFXYXGESA-N
XLogP2.66
TPSA108.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl]-1H-indole-5-carboxylic acid
CID 118952958
[1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methanol
CID 66995898
[(2R)-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl pyridine-3-carboxylate
CID 58514351
(2S)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-2-carboxylic acid
CID 120964867
7-(2-phenylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 166271173
5-(methoxymethyl)-7-(2-pentan-2-ylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133377071
5-ethyl-3-propyl-4-[[(2R)-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methoxy]quinoline-2-carboxamide
CID 118952976
methyl 2-[(2R)-1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]acetate
CID 97059143
1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-2-carboxamide
CID 42917859
[(2S)-1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methanol
CID 95296940
2-(4-methoxyphenyl)-1-[2-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]ethanone
CID 110218844
tert-butyl (3R)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate
CID 142415547

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-methoxy-[1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl]-1H-indole-5-carboxylic acid?
The IUPAC name of 2-[(R)-methoxy-[1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl]-1H-indole-5-carboxylic acid (CID 118952955) is 2-[(R)-methoxy-[1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl]-1H-indole-5-carboxylic acid.
What is the SMILES notation for 2-[(R)-methoxy-[1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl]-1H-indole-5-carboxylic acid?
The canonical SMILES for 2-[(R)-methoxy-[1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl]-1H-indole-5-carboxylic acid is CO[C@@H](c1cc2cc(C(=O)O)ccc2[nH]1)C1CCCN1c1ccnc2ncnn12.
What is the InChIKey of 2-[(R)-methoxy-[1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl]-1H-indole-5-carboxylic acid?
The InChIKey is PETLUGILLNXKMJ-DAFXYXGESA-N. The full InChI is InChI=1S/C20H20N6O3/c1-29-18(15-10-13-9-12(19(27)28)4-5-14(13)24-15)16-3-2-8-25(16)17-6-7-21-20-22-11-23-26(17)20/h4-7,9-11,16,18,24H,2-3,8H2,1H3,(H,27,28)/t16?,18-/m0/s1.
What are the key properties of 2-[(R)-methoxy-[1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl]-1H-indole-5-carboxylic acid?
2-[(R)-methoxy-[1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl]-1H-indole-5-carboxylic acid has a molecular weight of 392.42 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-methoxy-[1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl]-1H-indole-5-carboxylic acid is sourced from PubChem (CID 118952955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).