8-methoxy-2-[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]-3,4-dihydro-1H-2,7-naphthyridine

C19H18F3N5O — CID 172596769

IUPAC8-methoxy-2-[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]-3,4-dihydro-1H-2,7-naphthyridine
SMILESCOc1nccc2c1CN(c1ccc(-c3nc(C(F)(F)F)cn3C)cn1)CC2
InChIInChI=1S/C19H18F3N5O/c1-26-11-15(19(20,21)22)25-17(26)13-3-4-16(24-9-13)27-8-6-12-5-7-23-18(28-2)14(12)10-27/h3-5,7,9,11H,6,8,10H2,1-2H3
InChIKeyRSDZNOGTDIORAN-UHFFFAOYSA-N
MW389.38 g/mol
LogP3.47
Rot. Bonds3

About 8-methoxy-2-[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]-3,4-dihydro-1H-2,7-naphthyridine

8-methoxy-2-[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]-3,4-dihydro-1H-2,7-naphthyridine (PubChem CID 172596769) has the molecular formula C19H18F3N5O and a molecular weight of 389.38 g/mol. Its IUPAC name is 8-methoxy-2-[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]-3,4-dihydro-1H-2,7-naphthyridine.

Molecular Properties

Compound Name8-methoxy-2-[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]-3,4-dihydro-1H-2,7-naphthyridine
PubChem CID172596769
Molecular FormulaC19H18F3N5O
Molecular Weight389.38 g/mol
Exact Mass389.15
IUPAC Name8-methoxy-2-[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]-3,4-dihydro-1H-2,7-naphthyridine
SMILESCOc1nccc2c1CN(c1ccc(-c3nc(C(F)(F)F)cn3C)cn1)CC2
InChIInChI=1S/C19H18F3N5O/c1-26-11-15(19(20,21)22)25-17(26)13-3-4-16(24-9-13)27-8-6-12-5-7-23-18(28-2)14(12)10-27/h3-5,7,9,11H,6,8,10H2,1-2H3
InChIKeyRSDZNOGTDIORAN-UHFFFAOYSA-N
XLogP3.47
TPSA56.07 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 ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]-3,4-dihydro-1H-2,7-naphthyridine?
The IUPAC name of 8-methoxy-2-[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]-3,4-dihydro-1H-2,7-naphthyridine (CID 172596769) is 8-methoxy-2-[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]-3,4-dihydro-1H-2,7-naphthyridine.
What is the SMILES notation for 8-methoxy-2-[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]-3,4-dihydro-1H-2,7-naphthyridine?
The canonical SMILES for 8-methoxy-2-[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]-3,4-dihydro-1H-2,7-naphthyridine is COc1nccc2c1CN(c1ccc(-c3nc(C(F)(F)F)cn3C)cn1)CC2.
What is the InChIKey of 8-methoxy-2-[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]-3,4-dihydro-1H-2,7-naphthyridine?
The InChIKey is RSDZNOGTDIORAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O/c1-26-11-15(19(20,21)22)25-17(26)13-3-4-16(24-9-13)27-8-6-12-5-7-23-18(28-2)14(12)10-27/h3-5,7,9,11H,6,8,10H2,1-2H3.
What are the key properties of 8-methoxy-2-[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]-3,4-dihydro-1H-2,7-naphthyridine?
8-methoxy-2-[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]-3,4-dihydro-1H-2,7-naphthyridine has a molecular weight of 389.38 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]-3,4-dihydro-1H-2,7-naphthyridine is sourced from PubChem (CID 172596769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).