1-[6-(5-chloro-2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-methylimidazo[4,5-c]pyridin-2-one

C20H13ClFN5O — CID 155537238

IUPAC1-[6-(5-chloro-2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-methylimidazo[4,5-c]pyridin-2-one
SMILESCn1c(=O)n(-c2cc(-c3cc(Cl)ccc3F)nc3[nH]ccc23)c2ccncc21
InChIInChI=1S/C20H13ClFN5O/c1-26-18-10-23-6-5-16(18)27(20(26)28)17-9-15(25-19-12(17)4-7-24-19)13-8-11(21)2-3-14(13)22/h2-10H,1H3,(H,24,25)
InChIKeyHESAPDRVFTXZTE-UHFFFAOYSA-N
MW393.81 g/mol
LogP4.06
Rot. Bonds2

About 1-[6-(5-chloro-2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-methylimidazo[4,5-c]pyridin-2-one

1-[6-(5-chloro-2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-methylimidazo[4,5-c]pyridin-2-one (PubChem CID 155537238) has the molecular formula C20H13ClFN5O and a molecular weight of 393.81 g/mol. Its IUPAC name is 1-[6-(5-chloro-2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-methylimidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name1-[6-(5-chloro-2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-methylimidazo[4,5-c]pyridin-2-one
PubChem CID155537238
Molecular FormulaC20H13ClFN5O
Molecular Weight393.81 g/mol
Exact Mass393.08
IUPAC Name1-[6-(5-chloro-2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-methylimidazo[4,5-c]pyridin-2-one
SMILESCn1c(=O)n(-c2cc(-c3cc(Cl)ccc3F)nc3[nH]ccc23)c2ccncc21
InChIInChI=1S/C20H13ClFN5O/c1-26-18-10-23-6-5-16(18)27(20(26)28)17-9-15(25-19-12(17)4-7-24-19)13-8-11(21)2-3-14(13)22/h2-10H,1H3,(H,24,25)
InChIKeyHESAPDRVFTXZTE-UHFFFAOYSA-N
XLogP4.06
TPSA68.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.81
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(5-chloro-2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-methylimidazo[4,5-c]pyridin-2-one?
The IUPAC name of 1-[6-(5-chloro-2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-methylimidazo[4,5-c]pyridin-2-one (CID 155537238) is 1-[6-(5-chloro-2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-methylimidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 1-[6-(5-chloro-2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-methylimidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 1-[6-(5-chloro-2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-methylimidazo[4,5-c]pyridin-2-one is Cn1c(=O)n(-c2cc(-c3cc(Cl)ccc3F)nc3[nH]ccc23)c2ccncc21.
What is the InChIKey of 1-[6-(5-chloro-2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-methylimidazo[4,5-c]pyridin-2-one?
The InChIKey is HESAPDRVFTXZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClFN5O/c1-26-18-10-23-6-5-16(18)27(20(26)28)17-9-15(25-19-12(17)4-7-24-19)13-8-11(21)2-3-14(13)22/h2-10H,1H3,(H,24,25).
What are the key properties of 1-[6-(5-chloro-2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-methylimidazo[4,5-c]pyridin-2-one?
1-[6-(5-chloro-2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-methylimidazo[4,5-c]pyridin-2-one has a molecular weight of 393.81 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(5-chloro-2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-methylimidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 155537238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).