[(3R)-1-[2-amino-6-(1,5-dimethylpyrazol-4-yl)-4-pyridinyl]pyrrolidin-3-yl] N-methylcarbamate

C16H22N6O2 — CID 166758946

IUPAC[(3R)-1-[2-amino-6-(1,5-dimethylpyrazol-4-yl)-4-pyridinyl]pyrrolidin-3-yl] N-methylcarbamate
SMILESCNC(=O)O[C@@H]1CCN(c2cc(N)nc(-c3cnn(C)c3C)c2)C1
InChIInChI=1S/C16H22N6O2/c1-10-13(8-19-21(10)3)14-6-11(7-15(17)20-14)22-5-4-12(9-22)24-16(23)18-2/h6-8,12H,4-5,9H2,1-3H3,(H2,17,20)(H,18,23)/t12-/m1/s1
InChIKeyPICMOXVADWDTKV-GFCCVEGCSA-N
MW330.39 g/mol
LogP1.31
Rot. Bonds3

About [(3R)-1-[2-amino-6-(1,5-dimethylpyrazol-4-yl)-4-pyridinyl]pyrrolidin-3-yl] N-methylcarbamate

[(3R)-1-[2-amino-6-(1,5-dimethylpyrazol-4-yl)-4-pyridinyl]pyrrolidin-3-yl] N-methylcarbamate (PubChem CID 166758946) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is [(3R)-1-[2-amino-6-(1,5-dimethylpyrazol-4-yl)-4-pyridinyl]pyrrolidin-3-yl] N-methylcarbamate.

Molecular Properties

Compound Name[(3R)-1-[2-amino-6-(1,5-dimethylpyrazol-4-yl)-4-pyridinyl]pyrrolidin-3-yl] N-methylcarbamate
PubChem CID166758946
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name[(3R)-1-[2-amino-6-(1,5-dimethylpyrazol-4-yl)-4-pyridinyl]pyrrolidin-3-yl] N-methylcarbamate
SMILESCNC(=O)O[C@@H]1CCN(c2cc(N)nc(-c3cnn(C)c3C)c2)C1
InChIInChI=1S/C16H22N6O2/c1-10-13(8-19-21(10)3)14-6-11(7-15(17)20-14)22-5-4-12(9-22)24-16(23)18-2/h6-8,12H,4-5,9H2,1-3H3,(H2,17,20)(H,18,23)/t12-/m1/s1
InChIKeyPICMOXVADWDTKV-GFCCVEGCSA-N
XLogP1.31
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [(3R)-1-[2-amino-6-(1,5-dimethylpyrazol-4-yl)-4-pyridinyl]pyrrolidin-3-yl] N-methylcarbamate with MolForge

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Related Compounds

N-[8-amino-6-(1,5-dimethylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
CID 135344388
[(3S)-1-(2-amino-8-chloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl] N-methylcarbamate
CID 69153381
1-[4-(1,5-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylic acid
CID 19616664
4-[3-(methylamino)pyrrolidin-1-yl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyridin-2-amine
CID 166793460
6-(4-chlorophenyl)-4-[3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine
CID 25095032
3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-(3-hydroxypyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 58366898
[5-[3-[[8-(1,5-dimethylpyrazol-4-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
CID 169142284
N-[[1-(6-amino-2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
CID 102737091
5-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 29091334
[1-[7-methoxy-2-[4-[2-(methylamino)ethoxy]phenyl]quinolin-4-yl]pyrrolidin-3-yl] N-methylcarbamate
CID 177173899
methyl 3-[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]propanoate
CID 114394179
3-O-ethyl 7-O-methyl 5-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxylate
CID 19916136

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[2-amino-6-(1,5-dimethylpyrazol-4-yl)-4-pyridinyl]pyrrolidin-3-yl] N-methylcarbamate?
The IUPAC name of [(3R)-1-[2-amino-6-(1,5-dimethylpyrazol-4-yl)-4-pyridinyl]pyrrolidin-3-yl] N-methylcarbamate (CID 166758946) is [(3R)-1-[2-amino-6-(1,5-dimethylpyrazol-4-yl)-4-pyridinyl]pyrrolidin-3-yl] N-methylcarbamate.
What is the SMILES notation for [(3R)-1-[2-amino-6-(1,5-dimethylpyrazol-4-yl)-4-pyridinyl]pyrrolidin-3-yl] N-methylcarbamate?
The canonical SMILES for [(3R)-1-[2-amino-6-(1,5-dimethylpyrazol-4-yl)-4-pyridinyl]pyrrolidin-3-yl] N-methylcarbamate is CNC(=O)O[C@@H]1CCN(c2cc(N)nc(-c3cnn(C)c3C)c2)C1.
What is the InChIKey of [(3R)-1-[2-amino-6-(1,5-dimethylpyrazol-4-yl)-4-pyridinyl]pyrrolidin-3-yl] N-methylcarbamate?
The InChIKey is PICMOXVADWDTKV-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-10-13(8-19-21(10)3)14-6-11(7-15(17)20-14)22-5-4-12(9-22)24-16(23)18-2/h6-8,12H,4-5,9H2,1-3H3,(H2,17,20)(H,18,23)/t12-/m1/s1.
What are the key properties of [(3R)-1-[2-amino-6-(1,5-dimethylpyrazol-4-yl)-4-pyridinyl]pyrrolidin-3-yl] N-methylcarbamate?
[(3R)-1-[2-amino-6-(1,5-dimethylpyrazol-4-yl)-4-pyridinyl]pyrrolidin-3-yl] N-methylcarbamate has a molecular weight of 330.39 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[2-amino-6-(1,5-dimethylpyrazol-4-yl)-4-pyridinyl]pyrrolidin-3-yl] N-methylcarbamate is sourced from PubChem (CID 166758946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).