5-[[1-[4-[1-(diethylamino)cyclopropyl]phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile

C21H23N7 — CID 171101403

IUPAC5-[[1-[4-[1-(diethylamino)cyclopropyl]phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile
SMILESCCN(CC)C1(c2ccc(-n3cnc(Nc4cnc(C#N)cn4)c3)cc2)CC1
InChIInChI=1S/C21H23N7/c1-3-28(4-2)21(9-10-21)16-5-7-18(8-6-16)27-14-20(25-15-27)26-19-13-23-17(11-22)12-24-19/h5-8,12-15H,3-4,9-10H2,1-2H3,(H,24,26)
InChIKeyJDZXFFORHVEWAW-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.61
Rot. Bonds7

About 5-[[1-[4-[1-(diethylamino)cyclopropyl]phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile

5-[[1-[4-[1-(diethylamino)cyclopropyl]phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile (PubChem CID 171101403) has the molecular formula C21H23N7 and a molecular weight of 373.46 g/mol. Its IUPAC name is 5-[[1-[4-[1-(diethylamino)cyclopropyl]phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[1-[4-[1-(diethylamino)cyclopropyl]phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile
PubChem CID171101403
Molecular FormulaC21H23N7
Molecular Weight373.46 g/mol
Exact Mass373.20
IUPAC Name5-[[1-[4-[1-(diethylamino)cyclopropyl]phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile
SMILESCCN(CC)C1(c2ccc(-n3cnc(Nc4cnc(C#N)cn4)c3)cc2)CC1
InChIInChI=1S/C21H23N7/c1-3-28(4-2)21(9-10-21)16-5-7-18(8-6-16)27-14-20(25-15-27)26-19-13-23-17(11-22)12-24-19/h5-8,12-15H,3-4,9-10H2,1-2H3,(H,24,26)
InChIKeyJDZXFFORHVEWAW-UHFFFAOYSA-N
XLogP3.61
TPSA82.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[[1-[4-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile
CID 171101829
5-[[1-[4-[(3R)-3-(methylamino)pyrrolidin-1-yl]phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile
CID 171101461
5-[[1-[4-(4-amino-2-methylpyrrolidin-1-yl)phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile
CID 171101570
5-[[1-[4-[3-[(2R)-2-methylazetidin-1-yl]pyrrolidin-1-yl]phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile
CID 171101519
5-[[1-[3-(4-methyl-1,4-diazepan-1-yl)phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile
CID 171101323
5-[[1-[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile
CID 171101373
5-[[1-[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile
CID 171101748
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-[(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-methylpyrazol-3-yl)amino]pyrazine-2-carbonitrile
CID 79770667
5-[2-(1-methylpyrazol-3-yl)ethylamino]pyrazine-2-carbonitrile
CID 104918240

Frequently Asked Questions

What is the IUPAC name of 5-[[1-[4-[1-(diethylamino)cyclopropyl]phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[1-[4-[1-(diethylamino)cyclopropyl]phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile (CID 171101403) is 5-[[1-[4-[1-(diethylamino)cyclopropyl]phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[1-[4-[1-(diethylamino)cyclopropyl]phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[1-[4-[1-(diethylamino)cyclopropyl]phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile is CCN(CC)C1(c2ccc(-n3cnc(Nc4cnc(C#N)cn4)c3)cc2)CC1.
What is the InChIKey of 5-[[1-[4-[1-(diethylamino)cyclopropyl]phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is JDZXFFORHVEWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7/c1-3-28(4-2)21(9-10-21)16-5-7-18(8-6-16)27-14-20(25-15-27)26-19-13-23-17(11-22)12-24-19/h5-8,12-15H,3-4,9-10H2,1-2H3,(H,24,26).
What are the key properties of 5-[[1-[4-[1-(diethylamino)cyclopropyl]phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile?
5-[[1-[4-[1-(diethylamino)cyclopropyl]phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 373.46 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-[4-[1-(diethylamino)cyclopropyl]phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 171101403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).