[(3R)-3-[[3-(2-methylquinolin-6-yl)triazolo[4,5-d]pyrimidin-5-yl]amino]pyrrolidin-1-yl] carbamate

C19H19N9O2 — CID 129094406

IUPAC[(3R)-3-[[3-(2-methylquinolin-6-yl)triazolo[4,5-d]pyrimidin-5-yl]amino]pyrrolidin-1-yl] carbamate
SMILESCc1ccc2cc(-n3nnc4cnc(N[C@@H]5CCN(OC(N)=O)C5)nc43)ccc2n1
InChIInChI=1S/C19H19N9O2/c1-11-2-3-12-8-14(4-5-15(12)22-11)28-17-16(25-26-28)9-21-19(24-17)23-13-6-7-27(10-13)30-18(20)29/h2-5,8-9,13H,6-7,10H2,1H3,(H2,20,29)(H,21,23,24)/t13-/m1/s1
InChIKeyYEUJXXFCTPPRQN-CYBMUJFWSA-N
MW405.42 g/mol
LogP1.56
Rot. Bonds4

About [(3R)-3-[[3-(2-methylquinolin-6-yl)triazolo[4,5-d]pyrimidin-5-yl]amino]pyrrolidin-1-yl] carbamate

[(3R)-3-[[3-(2-methylquinolin-6-yl)triazolo[4,5-d]pyrimidin-5-yl]amino]pyrrolidin-1-yl] carbamate (PubChem CID 129094406) has the molecular formula C19H19N9O2 and a molecular weight of 405.42 g/mol. Its IUPAC name is [(3R)-3-[[3-(2-methylquinolin-6-yl)triazolo[4,5-d]pyrimidin-5-yl]amino]pyrrolidin-1-yl] carbamate.

Molecular Properties

Compound Name[(3R)-3-[[3-(2-methylquinolin-6-yl)triazolo[4,5-d]pyrimidin-5-yl]amino]pyrrolidin-1-yl] carbamate
PubChem CID129094406
Molecular FormulaC19H19N9O2
Molecular Weight405.42 g/mol
Exact Mass405.17
IUPAC Name[(3R)-3-[[3-(2-methylquinolin-6-yl)triazolo[4,5-d]pyrimidin-5-yl]amino]pyrrolidin-1-yl] carbamate
SMILESCc1ccc2cc(-n3nnc4cnc(N[C@@H]5CCN(OC(N)=O)C5)nc43)ccc2n1
InChIInChI=1S/C19H19N9O2/c1-11-2-3-12-8-14(4-5-15(12)22-11)28-17-16(25-26-28)9-21-19(24-17)23-13-6-7-27(10-13)30-18(20)29/h2-5,8-9,13H,6-7,10H2,1H3,(H2,20,29)(H,21,23,24)/t13-/m1/s1
InChIKeyYEUJXXFCTPPRQN-CYBMUJFWSA-N
XLogP1.56
TPSA136.97 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.42
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze [(3R)-3-[[3-(2-methylquinolin-6-yl)triazolo[4,5-d]pyrimidin-5-yl]amino]pyrrolidin-1-yl] carbamate with MolForge

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Related Compounds

3-[[3-(2-methylquinolin-6-yl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxylic acid
CID 123610593
N-cyclopentyl-3-(2-methylquinolin-6-yl)triazolo[4,5-d]pyrimidin-5-amine;[(1R,3R)-3-hydroxycyclopentyl]carbamic acid
CID 129094366
N-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-6-yltriazolo[4,5-d]pyrimidin-5-amine
CID 90389939
N-cyclopentyl-3-(2-methylisoindol-5-yl)triazolo[4,5-d]pyrimidin-5-amine;methanol
CID 144695350
3-(4-methylpiperazin-1-yl)-1-[3-[(3-quinolin-6-yltriazolo[4,5-d]pyrimidin-5-yl)amino]pyrrolidin-1-yl]propan-1-one
CID 90391637
3-[[3-(2,1,3-benzothiadiazol-5-yl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxamide
CID 123278474
carbamic acid;N-cyclohexyl-3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-amine
CID 129094343
N-cyclopentyl-3-[4-(6-methyl-3-pyridinyl)phenyl]triazolo[4,5-d]pyrimidin-5-amine
CID 129109006
3-(4-methoxyphenyl)-N-[(3R)-1-methylsulfonylpyrrolidin-3-yl]triazolo[4,5-d]pyrimidin-5-amine
CID 90390056
N-cyclopentyl-3-(2-methyl-1H-indol-5-yl)triazolo[4,5-d]pyrimidin-5-amine
CID 129108828
3-(4-methoxyphenyl)-N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]triazolo[4,5-d]pyrimidin-5-amine
CID 118659253
N-cyclopropyl-3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-amine
CID 86279715

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[[3-(2-methylquinolin-6-yl)triazolo[4,5-d]pyrimidin-5-yl]amino]pyrrolidin-1-yl] carbamate?
The IUPAC name of [(3R)-3-[[3-(2-methylquinolin-6-yl)triazolo[4,5-d]pyrimidin-5-yl]amino]pyrrolidin-1-yl] carbamate (CID 129094406) is [(3R)-3-[[3-(2-methylquinolin-6-yl)triazolo[4,5-d]pyrimidin-5-yl]amino]pyrrolidin-1-yl] carbamate.
What is the SMILES notation for [(3R)-3-[[3-(2-methylquinolin-6-yl)triazolo[4,5-d]pyrimidin-5-yl]amino]pyrrolidin-1-yl] carbamate?
The canonical SMILES for [(3R)-3-[[3-(2-methylquinolin-6-yl)triazolo[4,5-d]pyrimidin-5-yl]amino]pyrrolidin-1-yl] carbamate is Cc1ccc2cc(-n3nnc4cnc(N[C@@H]5CCN(OC(N)=O)C5)nc43)ccc2n1.
What is the InChIKey of [(3R)-3-[[3-(2-methylquinolin-6-yl)triazolo[4,5-d]pyrimidin-5-yl]amino]pyrrolidin-1-yl] carbamate?
The InChIKey is YEUJXXFCTPPRQN-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H19N9O2/c1-11-2-3-12-8-14(4-5-15(12)22-11)28-17-16(25-26-28)9-21-19(24-17)23-13-6-7-27(10-13)30-18(20)29/h2-5,8-9,13H,6-7,10H2,1H3,(H2,20,29)(H,21,23,24)/t13-/m1/s1.
What are the key properties of [(3R)-3-[[3-(2-methylquinolin-6-yl)triazolo[4,5-d]pyrimidin-5-yl]amino]pyrrolidin-1-yl] carbamate?
[(3R)-3-[[3-(2-methylquinolin-6-yl)triazolo[4,5-d]pyrimidin-5-yl]amino]pyrrolidin-1-yl] carbamate has a molecular weight of 405.42 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[[3-(2-methylquinolin-6-yl)triazolo[4,5-d]pyrimidin-5-yl]amino]pyrrolidin-1-yl] carbamate is sourced from PubChem (CID 129094406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).