7-[(3-tert-butyltriazol-4-yl)methyl]-4-(4-chloro-2,6-difluorophenyl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide

C22H23ClF2N6O — CID 118913157

IUPAC7-[(3-tert-butyltriazol-4-yl)methyl]-4-(4-chloro-2,6-difluorophenyl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
SMILESCC(C)(C)n1nncc1CN1CCc2c(-c3c(F)cc(Cl)cc3F)cc(C(N)=O)nc2C1
InChIInChI=1S/C22H23ClF2N6O/c1-22(2,3)31-13(9-27-29-31)10-30-5-4-14-15(8-18(21(26)32)28-19(14)11-30)20-16(24)6-12(23)7-17(20)25/h6-9H,4-5,10-11H2,1-3H3,(H2,26,32)
InChIKeyGGARGBKSIKWSOJ-UHFFFAOYSA-N
MW460.92 g/mol
LogP3.68
Rot. Bonds4

About 7-[(3-tert-butyltriazol-4-yl)methyl]-4-(4-chloro-2,6-difluorophenyl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide

7-[(3-tert-butyltriazol-4-yl)methyl]-4-(4-chloro-2,6-difluorophenyl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide (PubChem CID 118913157) has the molecular formula C22H23ClF2N6O and a molecular weight of 460.92 g/mol. Its IUPAC name is 7-[(3-tert-butyltriazol-4-yl)methyl]-4-(4-chloro-2,6-difluorophenyl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name7-[(3-tert-butyltriazol-4-yl)methyl]-4-(4-chloro-2,6-difluorophenyl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
PubChem CID118913157
Molecular FormulaC22H23ClF2N6O
Molecular Weight460.92 g/mol
Exact Mass460.16
IUPAC Name7-[(3-tert-butyltriazol-4-yl)methyl]-4-(4-chloro-2,6-difluorophenyl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
SMILESCC(C)(C)n1nncc1CN1CCc2c(-c3c(F)cc(Cl)cc3F)cc(C(N)=O)nc2C1
InChIInChI=1S/C22H23ClF2N6O/c1-22(2,3)31-13(9-27-29-31)10-30-5-4-14-15(8-18(21(26)32)28-19(14)11-30)20-16(24)6-12(23)7-17(20)25/h6-9H,4-5,10-11H2,1-3H3,(H2,26,32)
InChIKeyGGARGBKSIKWSOJ-UHFFFAOYSA-N
XLogP3.68
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.92
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-(2,4-difluorophenyl)-7-[(1-methyltetrazol-5-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
CID 118911297
4-(4-chloro-2-fluorophenyl)-7-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
CID 118902472
4-(4-fluorophenyl)-7-[(3-methylsulfinylphenyl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
CID 154985629
4-(2,4-dimethylphenyl)-7-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
CID 118911208
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-fluorophenyl)-7-[[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
CID 118911190
2-tert-butyl-7-[(3-chloro-2,6-difluorophenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865303
7-[(3-chloro-4-fluorophenyl)methyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865381
7-[[2-[difluoro(phosphanyl)methyl]-4-pyridinyl]methyl]-4-[(2E,4E)-1-methyliminohexa-2,4-dien-3-yl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
CID 145025444
4-[(3-amino-2-cyanoprop-2-enylidene)amino]-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
CID 145025471
7-[(4-chlorophenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
CID 173153662

Frequently Asked Questions

What is the IUPAC name of 7-[(3-tert-butyltriazol-4-yl)methyl]-4-(4-chloro-2,6-difluorophenyl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The IUPAC name of 7-[(3-tert-butyltriazol-4-yl)methyl]-4-(4-chloro-2,6-difluorophenyl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide (CID 118913157) is 7-[(3-tert-butyltriazol-4-yl)methyl]-4-(4-chloro-2,6-difluorophenyl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide.
What is the SMILES notation for 7-[(3-tert-butyltriazol-4-yl)methyl]-4-(4-chloro-2,6-difluorophenyl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The canonical SMILES for 7-[(3-tert-butyltriazol-4-yl)methyl]-4-(4-chloro-2,6-difluorophenyl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide is CC(C)(C)n1nncc1CN1CCc2c(-c3c(F)cc(Cl)cc3F)cc(C(N)=O)nc2C1.
What is the InChIKey of 7-[(3-tert-butyltriazol-4-yl)methyl]-4-(4-chloro-2,6-difluorophenyl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The InChIKey is GGARGBKSIKWSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClF2N6O/c1-22(2,3)31-13(9-27-29-31)10-30-5-4-14-15(8-18(21(26)32)28-19(14)11-30)20-16(24)6-12(23)7-17(20)25/h6-9H,4-5,10-11H2,1-3H3,(H2,26,32).
What are the key properties of 7-[(3-tert-butyltriazol-4-yl)methyl]-4-(4-chloro-2,6-difluorophenyl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
7-[(3-tert-butyltriazol-4-yl)methyl]-4-(4-chloro-2,6-difluorophenyl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide has a molecular weight of 460.92 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-tert-butyltriazol-4-yl)methyl]-4-(4-chloro-2,6-difluorophenyl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide is sourced from PubChem (CID 118913157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).