N-(2,6-dichloro-4-fluorophenyl)-1-[(1-methylimidazol-4-yl)methyl]pyrrolo[3,2-c]pyridin-4-amine

C18H14Cl2FN5 — CID 146288302

IUPACN-(2,6-dichloro-4-fluorophenyl)-1-[(1-methylimidazol-4-yl)methyl]pyrrolo[3,2-c]pyridin-4-amine
SMILESCn1cnc(Cn2ccc3c(Nc4c(Cl)cc(F)cc4Cl)nccc32)c1
InChIInChI=1S/C18H14Cl2FN5/c1-25-8-12(23-10-25)9-26-5-3-13-16(26)2-4-22-18(13)24-17-14(19)6-11(21)7-15(17)20/h2-8,10H,9H2,1H3,(H,22,24)
InChIKeySZPQFEDNESWEMC-UHFFFAOYSA-N
MW390.25 g/mol
LogP5.01
Rot. Bonds4

About N-(2,6-dichloro-4-fluorophenyl)-1-[(1-methylimidazol-4-yl)methyl]pyrrolo[3,2-c]pyridin-4-amine

N-(2,6-dichloro-4-fluorophenyl)-1-[(1-methylimidazol-4-yl)methyl]pyrrolo[3,2-c]pyridin-4-amine (PubChem CID 146288302) has the molecular formula C18H14Cl2FN5 and a molecular weight of 390.25 g/mol. Its IUPAC name is N-(2,6-dichloro-4-fluorophenyl)-1-[(1-methylimidazol-4-yl)methyl]pyrrolo[3,2-c]pyridin-4-amine.

Molecular Properties

Compound NameN-(2,6-dichloro-4-fluorophenyl)-1-[(1-methylimidazol-4-yl)methyl]pyrrolo[3,2-c]pyridin-4-amine
PubChem CID146288302
Molecular FormulaC18H14Cl2FN5
Molecular Weight390.25 g/mol
Exact Mass389.06
IUPAC NameN-(2,6-dichloro-4-fluorophenyl)-1-[(1-methylimidazol-4-yl)methyl]pyrrolo[3,2-c]pyridin-4-amine
SMILESCn1cnc(Cn2ccc3c(Nc4c(Cl)cc(F)cc4Cl)nccc32)c1
InChIInChI=1S/C18H14Cl2FN5/c1-25-8-12(23-10-25)9-26-5-3-13-16(26)2-4-22-18(13)24-17-14(19)6-11(21)7-15(17)20/h2-8,10H,9H2,1H3,(H,22,24)
InChIKeySZPQFEDNESWEMC-UHFFFAOYSA-N
XLogP5.01
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.25
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-[4-(4-fluoro-2,6-dimethylanilino)pyrrolo[3,2-c]pyridin-1-yl]butan-2-ol
CID 146288476
N-(2,6-dichlorophenyl)-1-(2-methylbutyl)pyrrolo[3,2-c]pyridin-4-amine
CID 146288432
(2R)-1-[4-(4-fluoro-2,6-dimethylanilino)pyrrolo[3,2-c]pyridin-1-yl]butan-2-ol;(2S)-1-[4-(4-fluoro-2,6-dimethylanilino)pyrrolo[3,2-c]pyridin-1-yl]butan-2-ol;methane
CID 158234871
1-butyl-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolo[3,2-c]pyridin-4-amine
CID 146288668
2-[4-(2,4-difluoro-6-methylanilino)pyrrolo[3,2-c]pyridin-1-yl]-N-methylacetamide
CID 153376780
3-chloro-4-[[1-[(2R)-2-hydroxybutyl]pyrrolo[3,2-c]pyridin-4-yl]amino]-5-methylbenzonitrile;3-chloro-4-[[1-[(2S)-2-hydroxybutyl]pyrrolo[3,2-c]pyridin-4-yl]amino]-5-methylbenzonitrile;methane
CID 158948723
1-[(1-methylimidazol-4-yl)methyl]-6-methylsulfonyl-4-(trifluoromethyl)indole
CID 59468817
2-[4-(2-chloro-3-fluoro-6-methylanilino)pyrrolo[3,2-c]pyridin-1-yl]-N-methylacetamide
CID 153376821
2-[4-[4-fluoro-2-methyl-6-(trifluoromethyl)anilino]pyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylacetamide
CID 146283885
1-(2,2-difluoropropyl)-N-(2,4,6-trimethyl-3-pyridinyl)pyrrolo[3,2-c]pyridin-4-amine
CID 162002734
N-(2,4-dimethyl-3-pyridinyl)-1-(2-fluorobutyl)pyrrolo[3,2-c]pyridin-4-amine
CID 162464315
N-(2,6-dichloro-4-fluorophenyl)-4-methyl-1-propylimidazol-2-amine
CID 106578797

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-4-fluorophenyl)-1-[(1-methylimidazol-4-yl)methyl]pyrrolo[3,2-c]pyridin-4-amine?
The IUPAC name of N-(2,6-dichloro-4-fluorophenyl)-1-[(1-methylimidazol-4-yl)methyl]pyrrolo[3,2-c]pyridin-4-amine (CID 146288302) is N-(2,6-dichloro-4-fluorophenyl)-1-[(1-methylimidazol-4-yl)methyl]pyrrolo[3,2-c]pyridin-4-amine.
What is the SMILES notation for N-(2,6-dichloro-4-fluorophenyl)-1-[(1-methylimidazol-4-yl)methyl]pyrrolo[3,2-c]pyridin-4-amine?
The canonical SMILES for N-(2,6-dichloro-4-fluorophenyl)-1-[(1-methylimidazol-4-yl)methyl]pyrrolo[3,2-c]pyridin-4-amine is Cn1cnc(Cn2ccc3c(Nc4c(Cl)cc(F)cc4Cl)nccc32)c1.
What is the InChIKey of N-(2,6-dichloro-4-fluorophenyl)-1-[(1-methylimidazol-4-yl)methyl]pyrrolo[3,2-c]pyridin-4-amine?
The InChIKey is SZPQFEDNESWEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2FN5/c1-25-8-12(23-10-25)9-26-5-3-13-16(26)2-4-22-18(13)24-17-14(19)6-11(21)7-15(17)20/h2-8,10H,9H2,1H3,(H,22,24).
What are the key properties of N-(2,6-dichloro-4-fluorophenyl)-1-[(1-methylimidazol-4-yl)methyl]pyrrolo[3,2-c]pyridin-4-amine?
N-(2,6-dichloro-4-fluorophenyl)-1-[(1-methylimidazol-4-yl)methyl]pyrrolo[3,2-c]pyridin-4-amine has a molecular weight of 390.25 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-4-fluorophenyl)-1-[(1-methylimidazol-4-yl)methyl]pyrrolo[3,2-c]pyridin-4-amine is sourced from PubChem (CID 146288302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).