[4-(3-amino-1-phenyl-2H-pyrazin-6-yl)phenyl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone

C23H27N5O — CID 174834148

IUPAC[4-(3-amino-1-phenyl-2H-pyrazin-6-yl)phenyl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone
SMILESCN(C)C1CCN(C(=O)c2ccc(C3=CN=C(N)CN3c3ccccc3)cc2)C1
InChIInChI=1S/C23H27N5O/c1-26(2)20-12-13-27(15-20)23(29)18-10-8-17(9-11-18)21-14-25-22(24)16-28(21)19-6-4-3-5-7-19/h3-11,14,20H,12-13,15-16H2,1-2H3,(H2,24,25)
InChIKeyNXEGOQJMGQHRBX-UHFFFAOYSA-N
MW389.50 g/mol
LogP2.64
Rot. Bonds4

About [4-(3-amino-1-phenyl-2H-pyrazin-6-yl)phenyl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone

[4-(3-amino-1-phenyl-2H-pyrazin-6-yl)phenyl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone (PubChem CID 174834148) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is [4-(3-amino-1-phenyl-2H-pyrazin-6-yl)phenyl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(3-amino-1-phenyl-2H-pyrazin-6-yl)phenyl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone
PubChem CID174834148
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name[4-(3-amino-1-phenyl-2H-pyrazin-6-yl)phenyl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone
SMILESCN(C)C1CCN(C(=O)c2ccc(C3=CN=C(N)CN3c3ccccc3)cc2)C1
InChIInChI=1S/C23H27N5O/c1-26(2)20-12-13-27(15-20)23(29)18-10-8-17(9-11-18)21-14-25-22(24)16-28(21)19-6-4-3-5-7-19/h3-11,14,20H,12-13,15-16H2,1-2H3,(H2,24,25)
InChIKeyNXEGOQJMGQHRBX-UHFFFAOYSA-N
XLogP2.64
TPSA65.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(3-amino-1-phenyl-2H-pyrazin-6-yl)phenyl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

[4-(3-amino-1-phenyl-2H-pyrazin-6-yl)phenyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 175304548
4-[3-(dimethylamino)pyrrolidine-1-carbonyl]benzoic acid
CID 63175136
[4-(4-chlorophenyl)phenyl]-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 126426652
N-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]-4-phenylbenzamide
CID 24794963
2-[4-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]benzonitrile
CID 126453381
(4-tert-butylphenyl)-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 121450401
[4-(dimethylamino)piperidin-1-yl]-phenylmethanone;ethane;methanamine
CID 54098461
[5-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamic acid
CID 90106434
(3-amino-4-bromophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63166595
[3-(dimethylamino)pyrrolidin-1-yl]-(2-methylphenyl)methanone
CID 110472052
[3-(dimethylamino)pyrrolidin-1-yl]-[4-(pyridin-2-ylamino)phenyl]methanone
CID 24794840
[(3R)-3-(dimethylamino)piperidin-1-yl]-[4-[4-(2H-tetrazol-5-yl)phenyl]phenyl]methanone
CID 126424546

Frequently Asked Questions

What is the IUPAC name of [4-(3-amino-1-phenyl-2H-pyrazin-6-yl)phenyl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
The IUPAC name of [4-(3-amino-1-phenyl-2H-pyrazin-6-yl)phenyl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone (CID 174834148) is [4-(3-amino-1-phenyl-2H-pyrazin-6-yl)phenyl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [4-(3-amino-1-phenyl-2H-pyrazin-6-yl)phenyl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
The canonical SMILES for [4-(3-amino-1-phenyl-2H-pyrazin-6-yl)phenyl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone is CN(C)C1CCN(C(=O)c2ccc(C3=CN=C(N)CN3c3ccccc3)cc2)C1.
What is the InChIKey of [4-(3-amino-1-phenyl-2H-pyrazin-6-yl)phenyl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
The InChIKey is NXEGOQJMGQHRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-26(2)20-12-13-27(15-20)23(29)18-10-8-17(9-11-18)21-14-25-22(24)16-28(21)19-6-4-3-5-7-19/h3-11,14,20H,12-13,15-16H2,1-2H3,(H2,24,25).
What are the key properties of [4-(3-amino-1-phenyl-2H-pyrazin-6-yl)phenyl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
[4-(3-amino-1-phenyl-2H-pyrazin-6-yl)phenyl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone has a molecular weight of 389.50 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-amino-1-phenyl-2H-pyrazin-6-yl)phenyl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 174834148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).