3-[[3-(2-methylquinolin-6-yl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxylic acid

C20H19N7O2 — CID 123610593

IUPAC3-[[3-(2-methylquinolin-6-yl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxylic acid
SMILESCc1ccc2cc(-n3nnc4cnc(NC5CCC(C(=O)O)C5)nc43)ccc2n1
InChIInChI=1S/C20H19N7O2/c1-11-2-3-12-9-15(6-7-16(12)22-11)27-18-17(25-26-27)10-21-20(24-18)23-14-5-4-13(8-14)19(28)29/h2-3,6-7,9-10,13-14H,4-5,8H2,1H3,(H,28,29)(H,21,23,24)
InChIKeySOMOINFNYJPSHH-UHFFFAOYSA-N
MW389.42 g/mol
LogP2.73
Rot. Bonds4

About 3-[[3-(2-methylquinolin-6-yl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxylic acid

3-[[3-(2-methylquinolin-6-yl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxylic acid (PubChem CID 123610593) has the molecular formula C20H19N7O2 and a molecular weight of 389.42 g/mol. Its IUPAC name is 3-[[3-(2-methylquinolin-6-yl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[3-(2-methylquinolin-6-yl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxylic acid
PubChem CID123610593
Molecular FormulaC20H19N7O2
Molecular Weight389.42 g/mol
Exact Mass389.16
IUPAC Name3-[[3-(2-methylquinolin-6-yl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxylic acid
SMILESCc1ccc2cc(-n3nnc4cnc(NC5CCC(C(=O)O)C5)nc43)ccc2n1
InChIInChI=1S/C20H19N7O2/c1-11-2-3-12-9-15(6-7-16(12)22-11)27-18-17(25-26-27)10-21-20(24-18)23-14-5-4-13(8-14)19(28)29/h2-3,6-7,9-10,13-14H,4-5,8H2,1H3,(H,28,29)(H,21,23,24)
InChIKeySOMOINFNYJPSHH-UHFFFAOYSA-N
XLogP2.73
TPSA118.71 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[[3-(2-methylquinolin-6-yl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

1-{4-[1-(3-fluoro-benzyl)-1H-indazol-5-ylamino]-pyrrolo[2,1-f][1,2,4]triazin-5-ylmethyl}-piperidine-4-carboxylic acid
CID 22390522
trans-(1R,3R)-3-[(3-bromo-1-quinolin-6-ylpyrazolo[3,4-d]pyrimidin-6-yl)amino]-N-methylcyclopentane-1-carboxamide
CID 151341389
2-[4-[(1-Benzylindazol-5-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazin-6-yl]acetic acid
CID 23644675
3-[4-[(3-Phenyltriazolo[4,5-d]pyrimidin-5-yl)amino]phenyl]propanoic acid
CID 44448318
4-[[8-morpholin-4-yl-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-b]pyridazin-3-yl]amino]cyclohexane-1-carboxylic acid
CID 121596884
2-[3-[[3-(3-Fluorophenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]phenyl]acetic acid
CID 57755758
4-[[7-Amino-3-(6-fluoroquinolin-3-yl)-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]methylamino]cyclohexane-1-carboxylic acid
CID 70217308
4-[4-Amino-3-(8-fluoro-2-pyridin-2-ylquinolin-7-yl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexane-1-carboxylic acid
CID 91243558
trans-(1R,3R)-3-[[3-(3-fluoro-4-morpholin-4-ylphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxylic acid
CID 118659276
trans-(1R,3R)-3-[[3-[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxylic acid
CID 118659342
trans-(1R,3R)-3-[[3-[3-fluoro-4-[1-(2-hydroxyethyl)pyrazol-4-yl]phenyl]triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxylic acid
CID 140828671
(5S,8R)-8-[[3-bromo-1-(8-fluoroquinolin-6-yl)pyrazolo[3,4-d]pyrimidin-6-yl]amino]-2-oxaspiro[4.4]nonan-1-one
CID 147172338

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-methylquinolin-6-yl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[[3-(2-methylquinolin-6-yl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxylic acid (CID 123610593) is 3-[[3-(2-methylquinolin-6-yl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[[3-(2-methylquinolin-6-yl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[[3-(2-methylquinolin-6-yl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxylic acid is Cc1ccc2cc(-n3nnc4cnc(NC5CCC(C(=O)O)C5)nc43)ccc2n1.
What is the InChIKey of 3-[[3-(2-methylquinolin-6-yl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is SOMOINFNYJPSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O2/c1-11-2-3-12-9-15(6-7-16(12)22-11)27-18-17(25-26-27)10-21-20(24-18)23-14-5-4-13(8-14)19(28)29/h2-3,6-7,9-10,13-14H,4-5,8H2,1H3,(H,28,29)(H,21,23,24).
What are the key properties of 3-[[3-(2-methylquinolin-6-yl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxylic acid?
3-[[3-(2-methylquinolin-6-yl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 389.42 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2-methylquinolin-6-yl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 123610593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).