6-[3-[[7-(2,4-difluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]propyl]pyridine-3-carbonitrile

C21H16F2N6 — CID 158866376

IUPAC6-[3-[[7-(2,4-difluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]propyl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(CCCNc2nc(-c3ccc(F)cc3F)cc3nccn23)nc1
InChIInChI=1S/C21H16F2N6/c22-15-4-6-17(18(23)10-15)19-11-20-25-8-9-29(20)21(28-19)26-7-1-2-16-5-3-14(12-24)13-27-16/h3-6,8-11,13H,1-2,7H2,(H,26,28)
InChIKeyJBGZOWWZFXTDMX-UHFFFAOYSA-N
MW390.40 g/mol
LogP3.99
Rot. Bonds6

About 6-[3-[[7-(2,4-difluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]propyl]pyridine-3-carbonitrile

6-[3-[[7-(2,4-difluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]propyl]pyridine-3-carbonitrile (PubChem CID 158866376) has the molecular formula C21H16F2N6 and a molecular weight of 390.40 g/mol. Its IUPAC name is 6-[3-[[7-(2,4-difluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]propyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[3-[[7-(2,4-difluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]propyl]pyridine-3-carbonitrile
PubChem CID158866376
Molecular FormulaC21H16F2N6
Molecular Weight390.40 g/mol
Exact Mass390.14
IUPAC Name6-[3-[[7-(2,4-difluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]propyl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(CCCNc2nc(-c3ccc(F)cc3F)cc3nccn23)nc1
InChIInChI=1S/C21H16F2N6/c22-15-4-6-17(18(23)10-15)19-11-20-25-8-9-29(20)21(28-19)26-7-1-2-16-5-3-14(12-24)13-27-16/h3-6,8-11,13H,1-2,7H2,(H,26,28)
InChIKeyJBGZOWWZFXTDMX-UHFFFAOYSA-N
XLogP3.99
TPSA78.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[2-[[7-[3-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]pyridine-3-carbonitrile
CID 25061424
6-[3-[[7-(2,4-dichlorophenyl)-2-(morpholin-4-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]propyl]pyridine-3-carbonitrile
CID 158380684
6-[3-[(7-chloro-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)amino]propyl]pyridine-3-carbonitrile
CID 148541904
6-[2-[[7-(1,3-benzodioxol-5-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]pyridine-3-carbonitrile
CID 25061937
N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-7-(3-chloro-4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-amine
CID 148789102
N-[3-(6-amino-5-nitro-2-pyridinyl)propyl]-7-(4-methylphenyl)imidazo[1,2-c]pyrimidin-5-amine
CID 147713752
6-[2-(2,4-difluorophenyl)ethylamino]pyridine-3-carbonitrile
CID 133302426
5-[3-(5-cyano-2-pyridinyl)propoxy]-7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidine-2-carboxylic acid
CID 161423027
6-[3-(3-fluorophenyl)propylamino]pyridine-3-carbonitrile
CID 133294986
1-[6-[3-[[7-(2,4-dichlorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]propyl]-3-pyridinyl]-2,2,2-trifluoroethanone
CID 159092022
5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-7-(2,4-dichlorophenyl)-N-pentan-3-ylimidazo[1,2-c]pyrimidine-2-carboxamide
CID 59313163
5-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-7-(2,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]imidazo[1,2-c]pyrimidine-2-carboxamide
CID 59312928

Frequently Asked Questions

What is the IUPAC name of 6-[3-[[7-(2,4-difluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]propyl]pyridine-3-carbonitrile?
The IUPAC name of 6-[3-[[7-(2,4-difluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]propyl]pyridine-3-carbonitrile (CID 158866376) is 6-[3-[[7-(2,4-difluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]propyl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[3-[[7-(2,4-difluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]propyl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[3-[[7-(2,4-difluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]propyl]pyridine-3-carbonitrile is N#Cc1ccc(CCCNc2nc(-c3ccc(F)cc3F)cc3nccn23)nc1.
What is the InChIKey of 6-[3-[[7-(2,4-difluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]propyl]pyridine-3-carbonitrile?
The InChIKey is JBGZOWWZFXTDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N6/c22-15-4-6-17(18(23)10-15)19-11-20-25-8-9-29(20)21(28-19)26-7-1-2-16-5-3-14(12-24)13-27-16/h3-6,8-11,13H,1-2,7H2,(H,26,28).
What are the key properties of 6-[3-[[7-(2,4-difluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]propyl]pyridine-3-carbonitrile?
6-[3-[[7-(2,4-difluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]propyl]pyridine-3-carbonitrile has a molecular weight of 390.40 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[[7-(2,4-difluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]propyl]pyridine-3-carbonitrile is sourced from PubChem (CID 158866376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).