4-[4-(4-fluoro-2-methoxyphenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole

C20H18FN3O2 — CID 134806472

IUPAC4-[4-(4-fluoro-2-methoxyphenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc(F)ccc1-c1nc(-c2c(C)noc2C)cc2[nH]c(C)cc12
InChIInChI=1S/C20H18FN3O2/c1-10-7-15-16(22-10)9-17(19-11(2)24-26-12(19)3)23-20(15)14-6-5-13(21)8-18(14)25-4/h5-9,22H,1-4H3
InChIKeyDXQVJRGGIYGKBV-UHFFFAOYSA-N
MW351.38 g/mol
LogP4.96
Rot. Bonds3

About 4-[4-(4-fluoro-2-methoxyphenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole

4-[4-(4-fluoro-2-methoxyphenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 134806472) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is 4-[4-(4-fluoro-2-methoxyphenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[4-(4-fluoro-2-methoxyphenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID134806472
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC Name4-[4-(4-fluoro-2-methoxyphenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc(F)ccc1-c1nc(-c2c(C)noc2C)cc2[nH]c(C)cc12
InChIInChI=1S/C20H18FN3O2/c1-10-7-15-16(22-10)9-17(19-11(2)24-26-12(19)3)23-20(15)14-6-5-13(21)8-18(14)25-4/h5-9,22H,1-4H3
InChIKeyDXQVJRGGIYGKBV-UHFFFAOYSA-N
XLogP4.96
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[4-(4-fluoro-2-methoxyphenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole with MolForge

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Related Compounds

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4-(8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethylisoxazole
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(5-Fluoro-1H-indol-2-yl)-(5-methoxy-1H-indol-2-yl)-methanone
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4-[4-(2-fluorophenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
CID 134805123
4-[4-(2,3-dimethoxyphenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluoro-2-methoxyphenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[4-(4-fluoro-2-methoxyphenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole (CID 134806472) is 4-[4-(4-fluoro-2-methoxyphenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[4-(4-fluoro-2-methoxyphenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[4-(4-fluoro-2-methoxyphenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole is COc1cc(F)ccc1-c1nc(-c2c(C)noc2C)cc2[nH]c(C)cc12.
What is the InChIKey of 4-[4-(4-fluoro-2-methoxyphenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is DXQVJRGGIYGKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c1-10-7-15-16(22-10)9-17(19-11(2)24-26-12(19)3)23-20(15)14-6-5-13(21)8-18(14)25-4/h5-9,22H,1-4H3.
What are the key properties of 4-[4-(4-fluoro-2-methoxyphenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole?
4-[4-(4-fluoro-2-methoxyphenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 351.38 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluoro-2-methoxyphenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 134806472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).