1-(cyclopropylmethyl)-7-[(4-fluorophenyl)methyl-methylamino]-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carbonitrile

C22H23FN4 — CID 67143080

IUPAC1-(cyclopropylmethyl)-7-[(4-fluorophenyl)methyl-methylamino]-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carbonitrile
SMILESCc1c(C)n(CC2CC2)c2c(N(C)Cc3ccc(F)cc3)nc(C#N)cc12
InChIInChI=1S/C22H23FN4/c1-14-15(2)27(13-17-4-5-17)21-20(14)10-19(11-24)25-22(21)26(3)12-16-6-8-18(23)9-7-16/h6-10,17H,4-5,12-13H2,1-3H3
InChIKeyUHOFXLTWBLRSFA-UHFFFAOYSA-N
MW362.45 g/mol
LogP4.71
Rot. Bonds5

About 1-(cyclopropylmethyl)-7-[(4-fluorophenyl)methyl-methylamino]-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carbonitrile

1-(cyclopropylmethyl)-7-[(4-fluorophenyl)methyl-methylamino]-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carbonitrile (PubChem CID 67143080) has the molecular formula C22H23FN4 and a molecular weight of 362.45 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-7-[(4-fluorophenyl)methyl-methylamino]-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-7-[(4-fluorophenyl)methyl-methylamino]-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carbonitrile
PubChem CID67143080
Molecular FormulaC22H23FN4
Molecular Weight362.45 g/mol
Exact Mass362.19
IUPAC Name1-(cyclopropylmethyl)-7-[(4-fluorophenyl)methyl-methylamino]-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carbonitrile
SMILESCc1c(C)n(CC2CC2)c2c(N(C)Cc3ccc(F)cc3)nc(C#N)cc12
InChIInChI=1S/C22H23FN4/c1-14-15(2)27(13-17-4-5-17)21-20(14)10-19(11-24)25-22(21)26(3)12-16-6-8-18(23)9-7-16/h6-10,17H,4-5,12-13H2,1-3H3
InChIKeyUHOFXLTWBLRSFA-UHFFFAOYSA-N
XLogP4.71
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(dimethylamino)ethyl]-4-methyl-2,3-dihydro-1H-pyrrolo[3',2':5,6]pyrido[1,2-a]benzimidazole-5-carbonitrile
CID 3159270
2-amino-1-[2-(4-fluorophenyl)ethyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carbonitrile
CID 853286
3-Cyclopropyl-6-fluoro-2-(5-fluoro-3-pyridinyl)benzimidazole-5-carbonitrile
CID 121458987
3-Cyclopropyl-6-fluoro-2-pyridin-3-ylbenzimidazole-5-carbonitrile
CID 121458994
1-Benzyl-2-(4-methyl-piperazin-1-yl)-1H-benzoimidazole
CID 2773189
3-Methyl-1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 767452
1-(4-Cyclohexylpiperazin-1-yl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 984666
3-Methyl-1-(propylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 3157181
1-(Cyclohexylamino)-3-isopropylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 706089
1-(4-fluorobenzyl)-2-(1-methylpiperidin-3-yl)-1H-benzo[d]imidazole
CID 46861860
(R)-1-(4-fluorobenzyl)-2-(1-methylpiperidin-3-yl)-1H-benzo[d]imidazole
CID 46888857
2-Ethyl-3-methyl-1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 779734

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-7-[(4-fluorophenyl)methyl-methylamino]-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carbonitrile?
The IUPAC name of 1-(cyclopropylmethyl)-7-[(4-fluorophenyl)methyl-methylamino]-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carbonitrile (CID 67143080) is 1-(cyclopropylmethyl)-7-[(4-fluorophenyl)methyl-methylamino]-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carbonitrile.
What is the SMILES notation for 1-(cyclopropylmethyl)-7-[(4-fluorophenyl)methyl-methylamino]-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carbonitrile?
The canonical SMILES for 1-(cyclopropylmethyl)-7-[(4-fluorophenyl)methyl-methylamino]-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carbonitrile is Cc1c(C)n(CC2CC2)c2c(N(C)Cc3ccc(F)cc3)nc(C#N)cc12.
What is the InChIKey of 1-(cyclopropylmethyl)-7-[(4-fluorophenyl)methyl-methylamino]-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carbonitrile?
The InChIKey is UHOFXLTWBLRSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4/c1-14-15(2)27(13-17-4-5-17)21-20(14)10-19(11-24)25-22(21)26(3)12-16-6-8-18(23)9-7-16/h6-10,17H,4-5,12-13H2,1-3H3.
What are the key properties of 1-(cyclopropylmethyl)-7-[(4-fluorophenyl)methyl-methylamino]-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carbonitrile?
1-(cyclopropylmethyl)-7-[(4-fluorophenyl)methyl-methylamino]-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carbonitrile has a molecular weight of 362.45 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-7-[(4-fluorophenyl)methyl-methylamino]-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carbonitrile is sourced from PubChem (CID 67143080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).