[4-[(6-chloropyrazin-2-yl)amino]-3-methoxyphenyl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone

C18H22ClN5O2 — CID 59662157

IUPAC[4-[(6-chloropyrazin-2-yl)amino]-3-methoxyphenyl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CC[C@@H](N(C)C)C2)ccc1Nc1cncc(Cl)n1
InChIInChI=1S/C18H22ClN5O2/c1-23(2)13-6-7-24(11-13)18(25)12-4-5-14(15(8-12)26-3)21-17-10-20-9-16(19)22-17/h4-5,8-10,13H,6-7,11H2,1-3H3,(H,21,22)/t13-/m1/s1
InChIKeyMAYKYBGWFAAOBS-CYBMUJFWSA-N
MW375.86 g/mol
LogP2.66
Rot. Bonds5

About [4-[(6-chloropyrazin-2-yl)amino]-3-methoxyphenyl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone

[4-[(6-chloropyrazin-2-yl)amino]-3-methoxyphenyl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone (PubChem CID 59662157) has the molecular formula C18H22ClN5O2 and a molecular weight of 375.86 g/mol. Its IUPAC name is [4-[(6-chloropyrazin-2-yl)amino]-3-methoxyphenyl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[4-[(6-chloropyrazin-2-yl)amino]-3-methoxyphenyl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone
PubChem CID59662157
Molecular FormulaC18H22ClN5O2
Molecular Weight375.86 g/mol
Exact Mass375.15
IUPAC Name[4-[(6-chloropyrazin-2-yl)amino]-3-methoxyphenyl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CC[C@@H](N(C)C)C2)ccc1Nc1cncc(Cl)n1
InChIInChI=1S/C18H22ClN5O2/c1-23(2)13-6-7-24(11-13)18(25)12-4-5-14(15(8-12)26-3)21-17-10-20-9-16(19)22-17/h4-5,8-10,13H,6-7,11H2,1-3H3,(H,21,22)/t13-/m1/s1
InChIKeyMAYKYBGWFAAOBS-CYBMUJFWSA-N
XLogP2.66
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[(6-chloropyrazin-2-yl)amino]-3-methoxyphenyl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone 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

[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[3-methoxy-4-[(6-methylpyrazin-2-yl)amino]phenyl]methanone
CID 70925189
[4-[[5-chloro-4-(methylamino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 58539126
[4-[[5-chloro-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 168838741
[4-[[4-amino-5-chloro-6-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 25253640
[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-(6-iodo-3-pyridinyl)methanone
CID 134405988
(2-chloro-4-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 63091284
[3-(dimethylamino)pyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 63858593
4-[3-(dimethylamino)pyrrolidine-1-carbonyl]benzoic acid
CID 63175136
[3-(diethylamino)pyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 110441411
[4-(4-chlorophenyl)phenyl]-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 126426652
[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-[4-[[5-(1H-indol-2-yl)-3-pyridinyl]amino]-3-methoxyphenyl]methanone
CID 154558944
[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-(3-pyrazin-2-ylphenyl)methanone
CID 125179666

Frequently Asked Questions

What is the IUPAC name of [4-[(6-chloropyrazin-2-yl)amino]-3-methoxyphenyl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone?
The IUPAC name of [4-[(6-chloropyrazin-2-yl)amino]-3-methoxyphenyl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone (CID 59662157) is [4-[(6-chloropyrazin-2-yl)amino]-3-methoxyphenyl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [4-[(6-chloropyrazin-2-yl)amino]-3-methoxyphenyl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone?
The canonical SMILES for [4-[(6-chloropyrazin-2-yl)amino]-3-methoxyphenyl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone is COc1cc(C(=O)N2CC[C@@H](N(C)C)C2)ccc1Nc1cncc(Cl)n1.
What is the InChIKey of [4-[(6-chloropyrazin-2-yl)amino]-3-methoxyphenyl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone?
The InChIKey is MAYKYBGWFAAOBS-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H22ClN5O2/c1-23(2)13-6-7-24(11-13)18(25)12-4-5-14(15(8-12)26-3)21-17-10-20-9-16(19)22-17/h4-5,8-10,13H,6-7,11H2,1-3H3,(H,21,22)/t13-/m1/s1.
What are the key properties of [4-[(6-chloropyrazin-2-yl)amino]-3-methoxyphenyl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone?
[4-[(6-chloropyrazin-2-yl)amino]-3-methoxyphenyl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone has a molecular weight of 375.86 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(6-chloropyrazin-2-yl)amino]-3-methoxyphenyl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 59662157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).