N-cyclopentyl-3-(2-methylquinolin-6-yl)triazolo[4,5-d]pyrimidin-5-amine;[(1R,3R)-3-hydroxycyclopentyl]carbamic acid

C25H30N8O3 — CID 129094366

IUPACN-cyclopentyl-3-(2-methylquinolin-6-yl)triazolo[4,5-d]pyrimidin-5-amine;[(1R,3R)-3-hydroxycyclopentyl]carbamic acid
SMILESCc1ccc2cc(-n3nnc4cnc(NC5CCCC5)nc43)ccc2n1.O=C(O)N[C@@H]1CC[C@@H](O)C1
InChIInChI=1S/C19H19N7.C6H11NO3/c1-12-6-7-13-10-15(8-9-16(13)21-12)26-18-17(24-25-26)11-20-19(23-18)22-14-4-2-3-5-14;8-5-2-1-4(3-5)7-6(9)10/h6-11,14H,2-5H2,1H3,(H,20,22,23);4-5,7-8H,1-3H2,(H,9,10)/t;4-,5-/m.1/s1
InChIKeyHXUIDCLOEOANFW-SWZUWFNISA-N
MW490.57 g/mol
LogP3.59
Rot. Bonds4

About N-cyclopentyl-3-(2-methylquinolin-6-yl)triazolo[4,5-d]pyrimidin-5-amine;[(1R,3R)-3-hydroxycyclopentyl]carbamic acid

N-cyclopentyl-3-(2-methylquinolin-6-yl)triazolo[4,5-d]pyrimidin-5-amine;[(1R,3R)-3-hydroxycyclopentyl]carbamic acid (PubChem CID 129094366) has the molecular formula C25H30N8O3 and a molecular weight of 490.57 g/mol. Its IUPAC name is N-cyclopentyl-3-(2-methylquinolin-6-yl)triazolo[4,5-d]pyrimidin-5-amine;[(1R,3R)-3-hydroxycyclopentyl]carbamic acid.

Molecular Properties

Compound NameN-cyclopentyl-3-(2-methylquinolin-6-yl)triazolo[4,5-d]pyrimidin-5-amine;[(1R,3R)-3-hydroxycyclopentyl]carbamic acid
PubChem CID129094366
Molecular FormulaC25H30N8O3
Molecular Weight490.57 g/mol
Exact Mass490.24
IUPAC NameN-cyclopentyl-3-(2-methylquinolin-6-yl)triazolo[4,5-d]pyrimidin-5-amine;[(1R,3R)-3-hydroxycyclopentyl]carbamic acid
SMILESCc1ccc2cc(-n3nnc4cnc(NC5CCCC5)nc43)ccc2n1.O=C(O)N[C@@H]1CC[C@@H](O)C1
InChIInChI=1S/C19H19N7.C6H11NO3/c1-12-6-7-13-10-15(8-9-16(13)21-12)26-18-17(24-25-26)11-20-19(23-18)22-14-4-2-3-5-14;8-5-2-1-4(3-5)7-6(9)10/h6-11,14H,2-5H2,1H3,(H,20,22,23);4-5,7-8H,1-3H2,(H,9,10)/t;4-,5-/m.1/s1
InChIKeyHXUIDCLOEOANFW-SWZUWFNISA-N
XLogP3.59
TPSA150.97 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.57
LogP ≤ 53.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze N-cyclopentyl-3-(2-methylquinolin-6-yl)triazolo[4,5-d]pyrimidin-5-amine;[(1R,3R)-3-hydroxycyclopentyl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[3-(2-methylquinolin-6-yl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxylic acid
CID 123610593
[(3R)-3-[[3-(2-methylquinolin-6-yl)triazolo[4,5-d]pyrimidin-5-yl]amino]pyrrolidin-1-yl] carbamate
CID 129094406
N-cyclopentyl-3-(2-methylisoindol-5-yl)triazolo[4,5-d]pyrimidin-5-amine;methanol
CID 144695350
trans-(1R,3R)-3-[[3-(2,1,3-benzothiadiazol-5-yl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol
CID 90397860
trans-(1S,3S)-3-[[3-(4-pyrrolidin-1-ylphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol
CID 90390098
trans-(1S,3S)-3-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol
CID 90389737
N-cyclopentyl-3-[4-(6-methyl-3-pyridinyl)phenyl]triazolo[4,5-d]pyrimidin-5-amine
CID 129109006
N-cyclopentyl-3-(2-methyl-1H-indol-5-yl)triazolo[4,5-d]pyrimidin-5-amine
CID 129108828
trans-(1R,3R)-3-[[3-[4-(2-hydroxypropan-2-yl)phenyl]triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol
CID 90389552
carbamic acid;N-cyclohexyl-3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-amine
CID 129094343
trans-(1R,3R)-3-[[3-(4-ethoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol
CID 90389604
trans-(1R,3R)-3-[[3-(1,2-dimethylbenzimidazol-5-yl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxylic acid
CID 118659286

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-(2-methylquinolin-6-yl)triazolo[4,5-d]pyrimidin-5-amine;[(1R,3R)-3-hydroxycyclopentyl]carbamic acid?
The IUPAC name of N-cyclopentyl-3-(2-methylquinolin-6-yl)triazolo[4,5-d]pyrimidin-5-amine;[(1R,3R)-3-hydroxycyclopentyl]carbamic acid (CID 129094366) is N-cyclopentyl-3-(2-methylquinolin-6-yl)triazolo[4,5-d]pyrimidin-5-amine;[(1R,3R)-3-hydroxycyclopentyl]carbamic acid.
What is the SMILES notation for N-cyclopentyl-3-(2-methylquinolin-6-yl)triazolo[4,5-d]pyrimidin-5-amine;[(1R,3R)-3-hydroxycyclopentyl]carbamic acid?
The canonical SMILES for N-cyclopentyl-3-(2-methylquinolin-6-yl)triazolo[4,5-d]pyrimidin-5-amine;[(1R,3R)-3-hydroxycyclopentyl]carbamic acid is Cc1ccc2cc(-n3nnc4cnc(NC5CCCC5)nc43)ccc2n1.O=C(O)N[C@@H]1CC[C@@H](O)C1.
What is the InChIKey of N-cyclopentyl-3-(2-methylquinolin-6-yl)triazolo[4,5-d]pyrimidin-5-amine;[(1R,3R)-3-hydroxycyclopentyl]carbamic acid?
The InChIKey is HXUIDCLOEOANFW-SWZUWFNISA-N. The full InChI is InChI=1S/C19H19N7.C6H11NO3/c1-12-6-7-13-10-15(8-9-16(13)21-12)26-18-17(24-25-26)11-20-19(23-18)22-14-4-2-3-5-14;8-5-2-1-4(3-5)7-6(9)10/h6-11,14H,2-5H2,1H3,(H,20,22,23);4-5,7-8H,1-3H2,(H,9,10)/t;4-,5-/m.1/s1.
What are the key properties of N-cyclopentyl-3-(2-methylquinolin-6-yl)triazolo[4,5-d]pyrimidin-5-amine;[(1R,3R)-3-hydroxycyclopentyl]carbamic acid?
N-cyclopentyl-3-(2-methylquinolin-6-yl)triazolo[4,5-d]pyrimidin-5-amine;[(1R,3R)-3-hydroxycyclopentyl]carbamic acid has a molecular weight of 490.57 g/mol, XLogP of 3.59, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-(2-methylquinolin-6-yl)triazolo[4,5-d]pyrimidin-5-amine;[(1R,3R)-3-hydroxycyclopentyl]carbamic acid is sourced from PubChem (CID 129094366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).