4-(2,4-difluorophenyl)-7-[(1-methyltetrazol-5-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide

C18H17F2N7O — CID 118911297

IUPAC4-(2,4-difluorophenyl)-7-[(1-methyltetrazol-5-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
SMILESCn1nnnc1CN1CCc2c(-c3ccc(F)cc3F)cc(C(N)=O)nc2C1
InChIInChI=1S/C18H17F2N7O/c1-26-17(23-24-25-26)9-27-5-4-12-13(11-3-2-10(19)6-14(11)20)7-15(18(21)28)22-16(12)8-27/h2-3,6-7H,4-5,8-9H2,1H3,(H2,21,28)
InChIKeyRMEQGGFWDOWBCN-UHFFFAOYSA-N
MW385.38 g/mol
LogP1.21
Rot. Bonds4

About 4-(2,4-difluorophenyl)-7-[(1-methyltetrazol-5-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide

4-(2,4-difluorophenyl)-7-[(1-methyltetrazol-5-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide (PubChem CID 118911297) has the molecular formula C18H17F2N7O and a molecular weight of 385.38 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-7-[(1-methyltetrazol-5-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-7-[(1-methyltetrazol-5-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
PubChem CID118911297
Molecular FormulaC18H17F2N7O
Molecular Weight385.38 g/mol
Exact Mass385.15
IUPAC Name4-(2,4-difluorophenyl)-7-[(1-methyltetrazol-5-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
SMILESCn1nnnc1CN1CCc2c(-c3ccc(F)cc3F)cc(C(N)=O)nc2C1
InChIInChI=1S/C18H17F2N7O/c1-26-17(23-24-25-26)9-27-5-4-12-13(11-3-2-10(19)6-14(11)20)7-15(18(21)28)22-16(12)8-27/h2-3,6-7H,4-5,8-9H2,1H3,(H2,21,28)
InChIKeyRMEQGGFWDOWBCN-UHFFFAOYSA-N
XLogP1.21
TPSA102.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2,4-difluorophenyl)-7-[(3-fluoro-5,5-dimethyloxolan-3-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
CID 118902417
4-(4-chloro-2-fluorophenyl)-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
CID 118911031
4-(4-fluorophenyl)-7-[(3-methylsulfinylphenyl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
CID 154985629
(8R)-4-(2,4-difluorophenyl)-8-methyl-7-[(2-methylpyrazol-3-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
CID 155925951
4-(2,4-dimethylphenyl)-7-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
CID 118911208
7-[(3-tert-butyltriazol-4-yl)methyl]-4-(4-chloro-2,6-difluorophenyl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
CID 118913157
4-(4-chloro-2-fluorophenyl)-7-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
CID 118902472
(2R)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2S)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
CID 159230599
1-[4-(4-ethyl-2-fluorophenyl)-7-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridin-2-yl]ethenamine
CID 145022552
(5R)-4-(2,4-difluorophenyl)-5-methoxy-5,6,7,8-tetrahydroquinoline-2-carboxamide
CID 174021509
4-(4-fluorophenyl)-7-[[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
CID 118911190
(2R)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2S)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;ethyl (2R)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate;ethyl (2S)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate;methane
CID 159224273

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-7-[(1-methyltetrazol-5-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The IUPAC name of 4-(2,4-difluorophenyl)-7-[(1-methyltetrazol-5-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide (CID 118911297) is 4-(2,4-difluorophenyl)-7-[(1-methyltetrazol-5-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide.
What is the SMILES notation for 4-(2,4-difluorophenyl)-7-[(1-methyltetrazol-5-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The canonical SMILES for 4-(2,4-difluorophenyl)-7-[(1-methyltetrazol-5-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide is Cn1nnnc1CN1CCc2c(-c3ccc(F)cc3F)cc(C(N)=O)nc2C1.
What is the InChIKey of 4-(2,4-difluorophenyl)-7-[(1-methyltetrazol-5-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The InChIKey is RMEQGGFWDOWBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N7O/c1-26-17(23-24-25-26)9-27-5-4-12-13(11-3-2-10(19)6-14(11)20)7-15(18(21)28)22-16(12)8-27/h2-3,6-7H,4-5,8-9H2,1H3,(H2,21,28).
What are the key properties of 4-(2,4-difluorophenyl)-7-[(1-methyltetrazol-5-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
4-(2,4-difluorophenyl)-7-[(1-methyltetrazol-5-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide has a molecular weight of 385.38 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-7-[(1-methyltetrazol-5-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide is sourced from PubChem (CID 118911297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).