2-(2-chloro-6-fluorophenyl)-5-(2,5-dimethylpyrazol-3-yl)-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine

C18H18ClFN4 — CID 121363467

IUPAC2-(2-chloro-6-fluorophenyl)-5-(2,5-dimethylpyrazol-3-yl)-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
SMILESCc1cc(N2CCc3[nH]c(-c4c(F)cccc4Cl)cc3C2)n(C)n1
InChIInChI=1S/C18H18ClFN4/c1-11-8-17(23(2)22-11)24-7-6-15-12(10-24)9-16(21-15)18-13(19)4-3-5-14(18)20/h3-5,8-9,21H,6-7,10H2,1-2H3
InChIKeyNBTLIKPYHNBUKD-UHFFFAOYSA-N
MW344.82 g/mol
LogP4.08
Rot. Bonds2

About 2-(2-chloro-6-fluorophenyl)-5-(2,5-dimethylpyrazol-3-yl)-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine

2-(2-chloro-6-fluorophenyl)-5-(2,5-dimethylpyrazol-3-yl)-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine (PubChem CID 121363467) has the molecular formula C18H18ClFN4 and a molecular weight of 344.82 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-5-(2,5-dimethylpyrazol-3-yl)-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-5-(2,5-dimethylpyrazol-3-yl)-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
PubChem CID121363467
Molecular FormulaC18H18ClFN4
Molecular Weight344.82 g/mol
Exact Mass344.12
IUPAC Name2-(2-chloro-6-fluorophenyl)-5-(2,5-dimethylpyrazol-3-yl)-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
SMILESCc1cc(N2CCc3[nH]c(-c4c(F)cccc4Cl)cc3C2)n(C)n1
InChIInChI=1S/C18H18ClFN4/c1-11-8-17(23(2)22-11)24-7-6-15-12(10-24)9-16(21-15)18-13(19)4-3-5-14(18)20/h3-5,8-9,21H,6-7,10H2,1-2H3
InChIKeyNBTLIKPYHNBUKD-UHFFFAOYSA-N
XLogP4.08
TPSA36.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-5-(2,5-dimethylpyrazol-3-yl)-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-5-(2,5-dimethylpyrazol-3-yl)-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine (CID 121363467) is 2-(2-chloro-6-fluorophenyl)-5-(2,5-dimethylpyrazol-3-yl)-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-5-(2,5-dimethylpyrazol-3-yl)-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-5-(2,5-dimethylpyrazol-3-yl)-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine is Cc1cc(N2CCc3[nH]c(-c4c(F)cccc4Cl)cc3C2)n(C)n1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-5-(2,5-dimethylpyrazol-3-yl)-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine?
The InChIKey is NBTLIKPYHNBUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN4/c1-11-8-17(23(2)22-11)24-7-6-15-12(10-24)9-16(21-15)18-13(19)4-3-5-14(18)20/h3-5,8-9,21H,6-7,10H2,1-2H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-5-(2,5-dimethylpyrazol-3-yl)-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine?
2-(2-chloro-6-fluorophenyl)-5-(2,5-dimethylpyrazol-3-yl)-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine has a molecular weight of 344.82 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-5-(2,5-dimethylpyrazol-3-yl)-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine is sourced from PubChem (CID 121363467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).