N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-methoxypyrazin-2-amine

C16H19FN4O — CID 125437374

IUPACN-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-methoxypyrazin-2-amine
SMILESCOc1nccnc1NC[C@H]1CCN(c2ccc(F)cc2)C1
InChIInChI=1S/C16H19FN4O/c1-22-16-15(18-7-8-19-16)20-10-12-6-9-21(11-12)14-4-2-13(17)3-5-14/h2-5,7-8,12H,6,9-11H2,1H3,(H,18,20)/t12-/m1/s1
InChIKeyDBBUKMNZHKPSDO-GFCCVEGCSA-N
MW302.35 g/mol
LogP2.56
Rot. Bonds5

About N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-methoxypyrazin-2-amine

N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-methoxypyrazin-2-amine (PubChem CID 125437374) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-methoxypyrazin-2-amine.

Molecular Properties

Compound NameN-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-methoxypyrazin-2-amine
PubChem CID125437374
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC NameN-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-methoxypyrazin-2-amine
SMILESCOc1nccnc1NC[C@H]1CCN(c2ccc(F)cc2)C1
InChIInChI=1S/C16H19FN4O/c1-22-16-15(18-7-8-19-16)20-10-12-6-9-21(11-12)14-4-2-13(17)3-5-14/h2-5,7-8,12H,6,9-11H2,1H3,(H,18,20)/t12-/m1/s1
InChIKeyDBBUKMNZHKPSDO-GFCCVEGCSA-N
XLogP2.56
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-methoxypyrazin-2-amine 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-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methylamino]pyrazine-2-carbonitrile
CID 154750162
4-(4-fluorophenoxy)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine
CID 56574268
2-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylamino]pyridine-4-carbonitrile
CID 125142211
N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 133419706
N-[[(3R)-1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]pyrazin-2-amine
CID 124572827
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-5-nitropyrimidin-2-amine
CID 75455214
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-methylbutan-1-amine
CID 83467641
1-ethyl-N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]piperidin-4-amine
CID 125447400
(2S)-N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 124831990
(2R)-N-[[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 52512945
[4-[[(3-methoxypyrazin-2-yl)amino]methyl]piperidin-1-yl]-(2-phenylcyclopropyl)methanone
CID 22135736
1-[[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-(4-methoxybutyl)urea
CID 95156016

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-methoxypyrazin-2-amine?
The IUPAC name of N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-methoxypyrazin-2-amine (CID 125437374) is N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-methoxypyrazin-2-amine.
What is the SMILES notation for N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-methoxypyrazin-2-amine?
The canonical SMILES for N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-methoxypyrazin-2-amine is COc1nccnc1NC[C@H]1CCN(c2ccc(F)cc2)C1.
What is the InChIKey of N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-methoxypyrazin-2-amine?
The InChIKey is DBBUKMNZHKPSDO-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19FN4O/c1-22-16-15(18-7-8-19-16)20-10-12-6-9-21(11-12)14-4-2-13(17)3-5-14/h2-5,7-8,12H,6,9-11H2,1H3,(H,18,20)/t12-/m1/s1.
What are the key properties of N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-methoxypyrazin-2-amine?
N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-methoxypyrazin-2-amine has a molecular weight of 302.35 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-methoxypyrazin-2-amine is sourced from PubChem (CID 125437374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).