2-[5-[2-(cyclopropylmethoxy)-4,6-difluorophenyl]-1-methylimidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine

C22H20F2N6O — CID 121288290

IUPAC2-[5-[2-(cyclopropylmethoxy)-4,6-difluorophenyl]-1-methylimidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine
SMILESCc1n[nH]nc1-c1ccnc(-c2ncn(C)c2-c2c(F)cc(F)cc2OCC2CC2)c1
InChIInChI=1S/C22H20F2N6O/c1-12-20(28-29-27-12)14-5-6-25-17(7-14)21-22(30(2)11-26-21)19-16(24)8-15(23)9-18(19)31-10-13-3-4-13/h5-9,11,13H,3-4,10H2,1-2H3,(H,27,28,29)
InChIKeyHWEMENZTMGSWGK-UHFFFAOYSA-N
MW422.44 g/mol
LogP4.31
Rot. Bonds6

About 2-[5-[2-(cyclopropylmethoxy)-4,6-difluorophenyl]-1-methylimidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine

2-[5-[2-(cyclopropylmethoxy)-4,6-difluorophenyl]-1-methylimidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine (PubChem CID 121288290) has the molecular formula C22H20F2N6O and a molecular weight of 422.44 g/mol. Its IUPAC name is 2-[5-[2-(cyclopropylmethoxy)-4,6-difluorophenyl]-1-methylimidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine.

Molecular Properties

Compound Name2-[5-[2-(cyclopropylmethoxy)-4,6-difluorophenyl]-1-methylimidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine
PubChem CID121288290
Molecular FormulaC22H20F2N6O
Molecular Weight422.44 g/mol
Exact Mass422.17
IUPAC Name2-[5-[2-(cyclopropylmethoxy)-4,6-difluorophenyl]-1-methylimidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine
SMILESCc1n[nH]nc1-c1ccnc(-c2ncn(C)c2-c2c(F)cc(F)cc2OCC2CC2)c1
InChIInChI=1S/C22H20F2N6O/c1-12-20(28-29-27-12)14-5-6-25-17(7-14)21-22(30(2)11-26-21)19-16(24)8-15(23)9-18(19)31-10-13-3-4-13/h5-9,11,13H,3-4,10H2,1-2H3,(H,27,28,29)
InChIKeyHWEMENZTMGSWGK-UHFFFAOYSA-N
XLogP4.31
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(cyclopropylmethoxy)-4,6-difluorophenyl]-1-methylimidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine?
The IUPAC name of 2-[5-[2-(cyclopropylmethoxy)-4,6-difluorophenyl]-1-methylimidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine (CID 121288290) is 2-[5-[2-(cyclopropylmethoxy)-4,6-difluorophenyl]-1-methylimidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine.
What is the SMILES notation for 2-[5-[2-(cyclopropylmethoxy)-4,6-difluorophenyl]-1-methylimidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine?
The canonical SMILES for 2-[5-[2-(cyclopropylmethoxy)-4,6-difluorophenyl]-1-methylimidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine is Cc1n[nH]nc1-c1ccnc(-c2ncn(C)c2-c2c(F)cc(F)cc2OCC2CC2)c1.
What is the InChIKey of 2-[5-[2-(cyclopropylmethoxy)-4,6-difluorophenyl]-1-methylimidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine?
The InChIKey is HWEMENZTMGSWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N6O/c1-12-20(28-29-27-12)14-5-6-25-17(7-14)21-22(30(2)11-26-21)19-16(24)8-15(23)9-18(19)31-10-13-3-4-13/h5-9,11,13H,3-4,10H2,1-2H3,(H,27,28,29).
What are the key properties of 2-[5-[2-(cyclopropylmethoxy)-4,6-difluorophenyl]-1-methylimidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine?
2-[5-[2-(cyclopropylmethoxy)-4,6-difluorophenyl]-1-methylimidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine has a molecular weight of 422.44 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(cyclopropylmethoxy)-4,6-difluorophenyl]-1-methylimidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine is sourced from PubChem (CID 121288290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).