5-[[1-[4-[(3R)-3-(methylamino)pyrrolidin-1-yl]phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile

C19H20N8 — CID 171101461

IUPAC5-[[1-[4-[(3R)-3-(methylamino)pyrrolidin-1-yl]phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile
SMILESCN[C@@H]1CCN(c2ccc(-n3cnc(Nc4cnc(C#N)cn4)c3)cc2)C1
InChIInChI=1S/C19H20N8/c1-21-14-6-7-26(11-14)16-2-4-17(5-3-16)27-12-19(24-13-27)25-18-10-22-15(8-20)9-23-18/h2-5,9-10,12-14,21H,6-7,11H2,1H3,(H,23,25)/t14-/m1/s1
InChIKeyRXMDOTJRRGAFTR-CQSZACIVSA-N
MW360.43 g/mol
LogP2.08
Rot. Bonds5

About 5-[[1-[4-[(3R)-3-(methylamino)pyrrolidin-1-yl]phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile

5-[[1-[4-[(3R)-3-(methylamino)pyrrolidin-1-yl]phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile (PubChem CID 171101461) has the molecular formula C19H20N8 and a molecular weight of 360.43 g/mol. Its IUPAC name is 5-[[1-[4-[(3R)-3-(methylamino)pyrrolidin-1-yl]phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[1-[4-[(3R)-3-(methylamino)pyrrolidin-1-yl]phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile
PubChem CID171101461
Molecular FormulaC19H20N8
Molecular Weight360.43 g/mol
Exact Mass360.18
IUPAC Name5-[[1-[4-[(3R)-3-(methylamino)pyrrolidin-1-yl]phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile
SMILESCN[C@@H]1CCN(c2ccc(-n3cnc(Nc4cnc(C#N)cn4)c3)cc2)C1
InChIInChI=1S/C19H20N8/c1-21-14-6-7-26(11-14)16-2-4-17(5-3-16)27-12-19(24-13-27)25-18-10-22-15(8-20)9-23-18/h2-5,9-10,12-14,21H,6-7,11H2,1H3,(H,23,25)/t14-/m1/s1
InChIKeyRXMDOTJRRGAFTR-CQSZACIVSA-N
XLogP2.08
TPSA94.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-[[1-[4-[3-[(2R)-2-methylazetidin-1-yl]pyrrolidin-1-yl]phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile
CID 171101519
5-[[1-[4-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile
CID 171101829
5-[[1-[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile
CID 171101748
5-[[1-[4-(4-amino-2-methylpyrrolidin-1-yl)phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile
CID 171101570
5-[[1-[5-[3-(azetidin-1-yl)pyrrolidin-1-yl]-2-pyridinyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile
CID 171101715
5-[[1-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-fluorophenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile
CID 171101713
5-[[1-[4-[1-(diethylamino)cyclopropyl]phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile
CID 171101403
5-[[1-[4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-methoxyphenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile
CID 171101655
5-[[1-[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile
CID 171101373
5-[[1-[3-(4-methyl-1,4-diazepan-1-yl)phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile
CID 171101323
5-[(1-phenylpyrrolidin-3-yl)methylamino]pyrazine-2-carbonitrile
CID 133291105
(3R)-N-methyl-1-(4-methylphenyl)pyrrolidin-3-amine
CID 93285994

Frequently Asked Questions

What is the IUPAC name of 5-[[1-[4-[(3R)-3-(methylamino)pyrrolidin-1-yl]phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[1-[4-[(3R)-3-(methylamino)pyrrolidin-1-yl]phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile (CID 171101461) is 5-[[1-[4-[(3R)-3-(methylamino)pyrrolidin-1-yl]phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[1-[4-[(3R)-3-(methylamino)pyrrolidin-1-yl]phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[1-[4-[(3R)-3-(methylamino)pyrrolidin-1-yl]phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile is CN[C@@H]1CCN(c2ccc(-n3cnc(Nc4cnc(C#N)cn4)c3)cc2)C1.
What is the InChIKey of 5-[[1-[4-[(3R)-3-(methylamino)pyrrolidin-1-yl]phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is RXMDOTJRRGAFTR-CQSZACIVSA-N. The full InChI is InChI=1S/C19H20N8/c1-21-14-6-7-26(11-14)16-2-4-17(5-3-16)27-12-19(24-13-27)25-18-10-22-15(8-20)9-23-18/h2-5,9-10,12-14,21H,6-7,11H2,1H3,(H,23,25)/t14-/m1/s1.
What are the key properties of 5-[[1-[4-[(3R)-3-(methylamino)pyrrolidin-1-yl]phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile?
5-[[1-[4-[(3R)-3-(methylamino)pyrrolidin-1-yl]phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 360.43 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-[4-[(3R)-3-(methylamino)pyrrolidin-1-yl]phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 171101461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).