N-[6-(2-hydroxyethyl)-2-phenyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide

C28H26F3N5O2 — CID 118393702

IUPACN-[6-(2-hydroxyethyl)-2-phenyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
SMILESCn1ccc(-c2cc(C(=O)Nc3cc4c(nc3-c3ccccc3)CCN(CCO)C4)ccc2C(F)(F)F)n1
InChIInChI=1S/C28H26F3N5O2/c1-35-11-9-24(34-35)21-15-19(7-8-22(21)28(29,30)31)27(38)33-25-16-20-17-36(13-14-37)12-10-23(20)32-26(25)18-5-3-2-4-6-18/h2-9,11,15-16,37H,10,12-14,17H2,1H3,(H,33,38)
InChIKeyGUKOVXOTZCPYHY-UHFFFAOYSA-N
MW521.54 g/mol
LogP4.77
Rot. Bonds6

About N-[6-(2-hydroxyethyl)-2-phenyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide

N-[6-(2-hydroxyethyl)-2-phenyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide (PubChem CID 118393702) has the molecular formula C28H26F3N5O2 and a molecular weight of 521.54 g/mol. Its IUPAC name is N-[6-(2-hydroxyethyl)-2-phenyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[6-(2-hydroxyethyl)-2-phenyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
PubChem CID118393702
Molecular FormulaC28H26F3N5O2
Molecular Weight521.54 g/mol
Exact Mass521.20
IUPAC NameN-[6-(2-hydroxyethyl)-2-phenyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
SMILESCn1ccc(-c2cc(C(=O)Nc3cc4c(nc3-c3ccccc3)CCN(CCO)C4)ccc2C(F)(F)F)n1
InChIInChI=1S/C28H26F3N5O2/c1-35-11-9-24(34-35)21-15-19(7-8-22(21)28(29,30)31)27(38)33-25-16-20-17-36(13-14-37)12-10-23(20)32-26(25)18-5-3-2-4-6-18/h2-9,11,15-16,37H,10,12-14,17H2,1H3,(H,33,38)
InChIKeyGUKOVXOTZCPYHY-UHFFFAOYSA-N
XLogP4.77
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.54
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

c-Met Inhibitor D6808
CID 165437862
Quinoline derivative 6
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4-(1-methylpyrazol-4-yl)-7-[[(2~{S})-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
CID 117641885
N-methyl-4-[1-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-oxopyridazin-3-yl]-2-(trifluoromethyl)benzamide
CID 165430631
5-(1-methylpyrazol-4-yl)-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]pyridine-3-carboxamide
CID 137646593
3-((3-(6-Methylpyridin-2-yl)-4-(1,5-naphthyridin-2-yl)-1H-pyrazol-1-yl)methyl)benzamide
CID 46907145
N-Cyclopropyl-4-methyl-3-(1-methyl-2-oxo-8-(2-(trifluoromethyl)-phenyl)-1,2-dihydropyrido[3,2-d]pyridazin-3-yl)benzamide
CID 52945802
N-Cyclopropyl-3-(8-(4-fluoro-2-methylphenyl)-1-methyl-2-oxo-1,2-dihydropyrido[3,2-d]pyridazin-3-yl)-4-methylbenzamide
CID 52948220
N-Cyclopropyl-3-(8-(2-fluoro-4-(trifluoromethyl)phenyl)-1-methyl-2-oxo-1,2-dihydropyrido[3,2-d]pyridazin-3-yl)-4-methylbenzamide
CID 52948227
Wgy5L2V9GM
CID 89545222
5-(3-(1-methyl-1H-pyrazol-3-yl)-4-(trifluoromethyl)benzamido)-6-phenylnicotinamide
CID 118392439
4-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methylquinoline-6-carboxamide
CID 132181409

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-hydroxyethyl)-2-phenyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[6-(2-hydroxyethyl)-2-phenyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide (CID 118393702) is N-[6-(2-hydroxyethyl)-2-phenyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[6-(2-hydroxyethyl)-2-phenyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[6-(2-hydroxyethyl)-2-phenyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide is Cn1ccc(-c2cc(C(=O)Nc3cc4c(nc3-c3ccccc3)CCN(CCO)C4)ccc2C(F)(F)F)n1.
What is the InChIKey of N-[6-(2-hydroxyethyl)-2-phenyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is GUKOVXOTZCPYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F3N5O2/c1-35-11-9-24(34-35)21-15-19(7-8-22(21)28(29,30)31)27(38)33-25-16-20-17-36(13-14-37)12-10-23(20)32-26(25)18-5-3-2-4-6-18/h2-9,11,15-16,37H,10,12-14,17H2,1H3,(H,33,38).
What are the key properties of N-[6-(2-hydroxyethyl)-2-phenyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
N-[6-(2-hydroxyethyl)-2-phenyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 521.54 g/mol, XLogP of 4.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-hydroxyethyl)-2-phenyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 118393702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).