1,2-dimethyl-7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-4H-imidazo[4,5-c]pyridine

C19H18F3N5O — CID 123406044

IUPAC1,2-dimethyl-7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-4H-imidazo[4,5-c]pyridine
SMILESCc1nc2c(n1C)C(c1cnn(C)c1)=CN(c1ccc(OC(F)(F)F)cc1)C2
InChIInChI=1S/C19H18F3N5O/c1-12-24-17-11-27(14-4-6-15(7-5-14)28-19(20,21)22)10-16(18(17)26(12)3)13-8-23-25(2)9-13/h4-10H,11H2,1-3H3
InChIKeyHAIFBLSMOATMAK-UHFFFAOYSA-N
MW389.38 g/mol
LogP3.77
Rot. Bonds3

About 1,2-dimethyl-7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-4H-imidazo[4,5-c]pyridine

1,2-dimethyl-7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-4H-imidazo[4,5-c]pyridine (PubChem CID 123406044) has the molecular formula C19H18F3N5O and a molecular weight of 389.38 g/mol. Its IUPAC name is 1,2-dimethyl-7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-4H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1,2-dimethyl-7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-4H-imidazo[4,5-c]pyridine
PubChem CID123406044
Molecular FormulaC19H18F3N5O
Molecular Weight389.38 g/mol
Exact Mass389.15
IUPAC Name1,2-dimethyl-7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-4H-imidazo[4,5-c]pyridine
SMILESCc1nc2c(n1C)C(c1cnn(C)c1)=CN(c1ccc(OC(F)(F)F)cc1)C2
InChIInChI=1S/C19H18F3N5O/c1-12-24-17-11-27(14-4-6-15(7-5-14)28-19(20,21)22)10-16(18(17)26(12)3)13-8-23-25(2)9-13/h4-10H,11H2,1-3H3
InChIKeyHAIFBLSMOATMAK-UHFFFAOYSA-N
XLogP3.77
TPSA48.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-4H-imidazo[4,5-c]pyridine?
The IUPAC name of 1,2-dimethyl-7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-4H-imidazo[4,5-c]pyridine (CID 123406044) is 1,2-dimethyl-7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-4H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 1,2-dimethyl-7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-4H-imidazo[4,5-c]pyridine?
The canonical SMILES for 1,2-dimethyl-7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-4H-imidazo[4,5-c]pyridine is Cc1nc2c(n1C)C(c1cnn(C)c1)=CN(c1ccc(OC(F)(F)F)cc1)C2.
What is the InChIKey of 1,2-dimethyl-7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-4H-imidazo[4,5-c]pyridine?
The InChIKey is HAIFBLSMOATMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O/c1-12-24-17-11-27(14-4-6-15(7-5-14)28-19(20,21)22)10-16(18(17)26(12)3)13-8-23-25(2)9-13/h4-10H,11H2,1-3H3.
What are the key properties of 1,2-dimethyl-7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-4H-imidazo[4,5-c]pyridine?
1,2-dimethyl-7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-4H-imidazo[4,5-c]pyridine has a molecular weight of 389.38 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-7-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-4H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 123406044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).