[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[3-methoxy-4-[(6-methylpyrazin-2-yl)amino]phenyl]methanone

C19H25N5O2 — CID 70925189

IUPAC[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[3-methoxy-4-[(6-methylpyrazin-2-yl)amino]phenyl]methanone
SMILESCOc1cc(C(=O)N2CC[C@@H](N(C)C)C2)ccc1Nc1cncc(C)n1
InChIInChI=1S/C19H25N5O2/c1-13-10-20-11-18(21-13)22-16-6-5-14(9-17(16)26-4)19(25)24-8-7-15(12-24)23(2)3/h5-6,9-11,15H,7-8,12H2,1-4H3,(H,21,22)/t15-/m1/s1
InChIKeyBWJLGWNOMDOCCR-OAHLLOKOSA-N
MW355.44 g/mol
LogP2.31
Rot. Bonds5

About [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[3-methoxy-4-[(6-methylpyrazin-2-yl)amino]phenyl]methanone

[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[3-methoxy-4-[(6-methylpyrazin-2-yl)amino]phenyl]methanone (PubChem CID 70925189) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[3-methoxy-4-[(6-methylpyrazin-2-yl)amino]phenyl]methanone.

Molecular Properties

Compound Name[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[3-methoxy-4-[(6-methylpyrazin-2-yl)amino]phenyl]methanone
PubChem CID70925189
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[3-methoxy-4-[(6-methylpyrazin-2-yl)amino]phenyl]methanone
SMILESCOc1cc(C(=O)N2CC[C@@H](N(C)C)C2)ccc1Nc1cncc(C)n1
InChIInChI=1S/C19H25N5O2/c1-13-10-20-11-18(21-13)22-16-6-5-14(9-17(16)26-4)19(25)24-8-7-15(12-24)23(2)3/h5-6,9-11,15H,7-8,12H2,1-4H3,(H,21,22)/t15-/m1/s1
InChIKeyBWJLGWNOMDOCCR-OAHLLOKOSA-N
XLogP2.31
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[3-methoxy-4-[(6-methylpyrazin-2-yl)amino]phenyl]methanone with MolForge

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Related Compounds

[4-[(6-chloropyrazin-2-yl)amino]-3-methoxyphenyl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 59662157
[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-[[5-chloro-4-(methylamino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 58539126
[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-(6-iodo-3-pyridinyl)methanone
CID 134405988
[4-[[4-amino-5-chloro-6-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 25253640
[3-(dimethylamino)pyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 63858593
[3-(dimethylamino)pyrrolidin-1-yl]-(3-hydroxy-4-methylphenyl)methanone
CID 63528357
[4-[[6-[(2,6-dimethylpyrimidin-4-yl)amino]pyrimidin-4-yl]amino]-3-methoxyphenyl]-pyrrolidin-1-ylmethanone
CID 168859302
4-[3-(dimethylamino)pyrrolidine-1-carbonyl]benzoic acid
CID 63175136
[3-(diethylamino)pyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 110441411
[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-[4-[[5-(1H-indol-2-yl)-3-pyridinyl]amino]-3-methoxyphenyl]methanone
CID 154558944
[3-(dimethylamino)pyrrolidin-1-yl]-[4-methyl-3-(trifluoromethyl)phenyl]methanone
CID 71166836

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[3-methoxy-4-[(6-methylpyrazin-2-yl)amino]phenyl]methanone?
The IUPAC name of [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[3-methoxy-4-[(6-methylpyrazin-2-yl)amino]phenyl]methanone (CID 70925189) is [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[3-methoxy-4-[(6-methylpyrazin-2-yl)amino]phenyl]methanone.
What is the SMILES notation for [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[3-methoxy-4-[(6-methylpyrazin-2-yl)amino]phenyl]methanone?
The canonical SMILES for [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[3-methoxy-4-[(6-methylpyrazin-2-yl)amino]phenyl]methanone is COc1cc(C(=O)N2CC[C@@H](N(C)C)C2)ccc1Nc1cncc(C)n1.
What is the InChIKey of [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[3-methoxy-4-[(6-methylpyrazin-2-yl)amino]phenyl]methanone?
The InChIKey is BWJLGWNOMDOCCR-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-13-10-20-11-18(21-13)22-16-6-5-14(9-17(16)26-4)19(25)24-8-7-15(12-24)23(2)3/h5-6,9-11,15H,7-8,12H2,1-4H3,(H,21,22)/t15-/m1/s1.
What are the key properties of [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[3-methoxy-4-[(6-methylpyrazin-2-yl)amino]phenyl]methanone?
[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[3-methoxy-4-[(6-methylpyrazin-2-yl)amino]phenyl]methanone has a molecular weight of 355.44 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[3-methoxy-4-[(6-methylpyrazin-2-yl)amino]phenyl]methanone is sourced from PubChem (CID 70925189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).