2-[4-(difluoromethoxy)-2-methoxyphenyl]-3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazine

C19H21F2N3O2 — CID 11439840

IUPAC2-[4-(difluoromethoxy)-2-methoxyphenyl]-3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazine
SMILESCOc1cc(OC(F)F)ccc1-c1nc2c(C)cn(C(C)C)c2nc1C
InChIInChI=1S/C19H21F2N3O2/c1-10(2)24-9-11(3)16-18(24)22-12(4)17(23-16)14-7-6-13(26-19(20)21)8-15(14)25-5/h6-10,19H,1-5H3
InChIKeyNGPHUFKXMZDXAZ-UHFFFAOYSA-N
MW361.39 g/mol
LogP4.91
Rot. Bonds5

About 2-[4-(difluoromethoxy)-2-methoxyphenyl]-3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazine

2-[4-(difluoromethoxy)-2-methoxyphenyl]-3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazine (PubChem CID 11439840) has the molecular formula C19H21F2N3O2 and a molecular weight of 361.39 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)-2-methoxyphenyl]-3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)-2-methoxyphenyl]-3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazine
PubChem CID11439840
Molecular FormulaC19H21F2N3O2
Molecular Weight361.39 g/mol
Exact Mass361.16
IUPAC Name2-[4-(difluoromethoxy)-2-methoxyphenyl]-3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazine
SMILESCOc1cc(OC(F)F)ccc1-c1nc2c(C)cn(C(C)C)c2nc1C
InChIInChI=1S/C19H21F2N3O2/c1-10(2)24-9-11(3)16-18(24)22-12(4)17(23-16)14-7-6-13(26-19(20)21)8-15(14)25-5/h6-10,19H,1-5H3
InChIKeyNGPHUFKXMZDXAZ-UHFFFAOYSA-N
XLogP4.91
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)-2-methoxyphenyl]-3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazine?
The IUPAC name of 2-[4-(difluoromethoxy)-2-methoxyphenyl]-3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazine (CID 11439840) is 2-[4-(difluoromethoxy)-2-methoxyphenyl]-3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 2-[4-(difluoromethoxy)-2-methoxyphenyl]-3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazine?
The canonical SMILES for 2-[4-(difluoromethoxy)-2-methoxyphenyl]-3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazine is COc1cc(OC(F)F)ccc1-c1nc2c(C)cn(C(C)C)c2nc1C.
What is the InChIKey of 2-[4-(difluoromethoxy)-2-methoxyphenyl]-3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazine?
The InChIKey is NGPHUFKXMZDXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O2/c1-10(2)24-9-11(3)16-18(24)22-12(4)17(23-16)14-7-6-13(26-19(20)21)8-15(14)25-5/h6-10,19H,1-5H3.
What are the key properties of 2-[4-(difluoromethoxy)-2-methoxyphenyl]-3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazine?
2-[4-(difluoromethoxy)-2-methoxyphenyl]-3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazine has a molecular weight of 361.39 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)-2-methoxyphenyl]-3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 11439840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).