N-(2-chlorophenyl)-2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide

C25H22ClFN6O2 — CID 146469029

IUPACN-(2-chlorophenyl)-2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
SMILESCc1nnn(-c2ccc(F)cc2)c1COc1ccc2c(n1)CCN(C(=O)Nc1ccccc1Cl)C2
InChIInChI=1S/C25H22ClFN6O2/c1-16-23(33(31-30-16)19-9-7-18(27)8-10-19)15-35-24-11-6-17-14-32(13-12-21(17)28-24)25(34)29-22-5-3-2-4-20(22)26/h2-11H,12-15H2,1H3,(H,29,34)
InChIKeyWOPJUQQSVPZRIB-UHFFFAOYSA-N
MW492.94 g/mol
LogP4.93
Rot. Bonds5

About N-(2-chlorophenyl)-2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide

N-(2-chlorophenyl)-2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide (PubChem CID 146469029) has the molecular formula C25H22ClFN6O2 and a molecular weight of 492.94 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
PubChem CID146469029
Molecular FormulaC25H22ClFN6O2
Molecular Weight492.94 g/mol
Exact Mass492.15
IUPAC NameN-(2-chlorophenyl)-2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
SMILESCc1nnn(-c2ccc(F)cc2)c1COc1ccc2c(n1)CCN(C(=O)Nc1ccccc1Cl)C2
InChIInChI=1S/C25H22ClFN6O2/c1-16-23(33(31-30-16)19-9-7-18(27)8-10-19)15-35-24-11-6-17-14-32(13-12-21(17)28-24)25(34)29-22-5-3-2-4-20(22)26/h2-11H,12-15H2,1H3,(H,29,34)
InChIKeyWOPJUQQSVPZRIB-UHFFFAOYSA-N
XLogP4.93
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.94
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide (CID 146469029) is N-(2-chlorophenyl)-2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide is Cc1nnn(-c2ccc(F)cc2)c1COc1ccc2c(n1)CCN(C(=O)Nc1ccccc1Cl)C2.
What is the InChIKey of N-(2-chlorophenyl)-2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide?
The InChIKey is WOPJUQQSVPZRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClFN6O2/c1-16-23(33(31-30-16)19-9-7-18(27)8-10-19)15-35-24-11-6-17-14-32(13-12-21(17)28-24)25(34)29-22-5-3-2-4-20(22)26/h2-11H,12-15H2,1H3,(H,29,34).
What are the key properties of N-(2-chlorophenyl)-2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide?
N-(2-chlorophenyl)-2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide has a molecular weight of 492.94 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide is sourced from PubChem (CID 146469029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).