N-[(1S)-1-[4-[(4-cyclopropyl-1,5-naphthyridin-3-yl)amino]phenyl]-2,2,2-trifluoroethyl]-N-methyloxane-2-carboxamide

C26H27F3N4O2 — CID 163260737

IUPACN-[(1S)-1-[4-[(4-cyclopropyl-1,5-naphthyridin-3-yl)amino]phenyl]-2,2,2-trifluoroethyl]-N-methyloxane-2-carboxamide
SMILESCN(C(=O)C1CCCCO1)[C@@H](c1ccc(Nc2cnc3cccnc3c2C2CC2)cc1)C(F)(F)F
InChIInChI=1S/C26H27F3N4O2/c1-33(25(34)21-6-2-3-14-35-21)24(26(27,28)29)17-9-11-18(12-10-17)32-20-15-31-19-5-4-13-30-23(19)22(20)16-7-8-16/h4-5,9-13,15-16,21,24,32H,2-3,6-8,14H2,1H3/t21?,24-/m0/s1
InChIKeyQTFNYCFRRLLRQT-FHZUCYEKSA-N
MW484.52 g/mol
LogP5.88
Rot. Bonds6

About N-[(1S)-1-[4-[(4-cyclopropyl-1,5-naphthyridin-3-yl)amino]phenyl]-2,2,2-trifluoroethyl]-N-methyloxane-2-carboxamide

N-[(1S)-1-[4-[(4-cyclopropyl-1,5-naphthyridin-3-yl)amino]phenyl]-2,2,2-trifluoroethyl]-N-methyloxane-2-carboxamide (PubChem CID 163260737) has the molecular formula C26H27F3N4O2 and a molecular weight of 484.52 g/mol. Its IUPAC name is N-[(1S)-1-[4-[(4-cyclopropyl-1,5-naphthyridin-3-yl)amino]phenyl]-2,2,2-trifluoroethyl]-N-methyloxane-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-[(4-cyclopropyl-1,5-naphthyridin-3-yl)amino]phenyl]-2,2,2-trifluoroethyl]-N-methyloxane-2-carboxamide
PubChem CID163260737
Molecular FormulaC26H27F3N4O2
Molecular Weight484.52 g/mol
Exact Mass484.21
IUPAC NameN-[(1S)-1-[4-[(4-cyclopropyl-1,5-naphthyridin-3-yl)amino]phenyl]-2,2,2-trifluoroethyl]-N-methyloxane-2-carboxamide
SMILESCN(C(=O)C1CCCCO1)[C@@H](c1ccc(Nc2cnc3cccnc3c2C2CC2)cc1)C(F)(F)F
InChIInChI=1S/C26H27F3N4O2/c1-33(25(34)21-6-2-3-14-35-21)24(26(27,28)29)17-9-11-18(12-10-17)32-20-15-31-19-5-4-13-30-23(19)22(20)16-7-8-16/h4-5,9-13,15-16,21,24,32H,2-3,6-8,14H2,1H3/t21?,24-/m0/s1
InChIKeyQTFNYCFRRLLRQT-FHZUCYEKSA-N
XLogP5.88
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.52
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-[4-[(4-cyclopropyl-1,5-naphthyridin-3-yl)amino]phenyl]-2,2,2-trifluoroethyl]-4,4-difluoro-N-methylcyclohexane-1-carboxamide
CID 163260654
4-N-[(1R)-1-[4-[(4-cyclopropyl-1,5-naphthyridin-3-yl)amino]phenyl]-2,2,2-trifluoroethyl]-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide
CID 175717348
4-amino-N-[(1S)-1-[4-[(4-cyclopropyl-1,5-naphthyridin-3-yl)amino]phenyl]-2,2,2-trifluoroethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 163260599
N-[(1S)-1-[4-[(4-cyclopropyl-1,5-naphthyridin-3-yl)amino]phenyl]-2,2,2-trifluoroethyl]-N-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxamide
CID 163260692
1-acetyl-N-[(1S)-1-[4-[(4-cyclopropyl-1,5-naphthyridin-3-yl)amino]phenyl]-2,2,2-trifluoroethyl]-N-methylpiperidine-3-carboxamide
CID 163260586
N-[(1S)-1-[4-[(4-cyclopropyl-1,5-naphthyridin-3-yl)amino]phenyl]-2,2,2-trifluoroethyl]-N-methyl-4-(2H-tetrazol-5-yl)cyclohexane-1-carboxamide
CID 170168498
N-[(1S)-1-[4-[(4-cyclopropyl-1,5-naphthyridin-3-yl)amino]phenyl]-2,2,2-trifluoroethyl]-N-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)azetidine-3-carboxamide
CID 163260598
N-[(1S)-1-[4-[(4-cyclopropyl-1,5-naphthyridin-3-yl)amino]phenyl]-2,2,2-trifluoroethyl]-N-methyl-1-propan-2-ylsulfonylpiperidine-4-carboxamide;hydrochloride
CID 163260627
N-methyl-1,1-dioxo-N-[(1S)-2,2,2-trifluoro-1-[4-[[6-methoxy-4-[(2R)-oxolan-2-yl]-1,5-naphthyridin-3-yl]amino]phenyl]ethyl]thiane-4-carboxamide
CID 175681805
(2R)-N-[(1S)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-N-methyl-1,4-dioxane-2-carboxamide
CID 97060388
(2S)-N-[(1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-N-methyl-1,4-dioxane-2-carboxamide
CID 97060387
N-[(1S)-1-[4-[[7-(cyclohexen-1-yl)thieno[3,2-b]pyridin-6-yl]amino]phenyl]-2,2,2-trifluoroethyl]-N-methyl-1,1-dioxothiane-4-carboxamide
CID 177252608

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[4-[(4-cyclopropyl-1,5-naphthyridin-3-yl)amino]phenyl]-2,2,2-trifluoroethyl]-N-methyloxane-2-carboxamide?
The IUPAC name of N-[(1S)-1-[4-[(4-cyclopropyl-1,5-naphthyridin-3-yl)amino]phenyl]-2,2,2-trifluoroethyl]-N-methyloxane-2-carboxamide (CID 163260737) is N-[(1S)-1-[4-[(4-cyclopropyl-1,5-naphthyridin-3-yl)amino]phenyl]-2,2,2-trifluoroethyl]-N-methyloxane-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-[4-[(4-cyclopropyl-1,5-naphthyridin-3-yl)amino]phenyl]-2,2,2-trifluoroethyl]-N-methyloxane-2-carboxamide?
The canonical SMILES for N-[(1S)-1-[4-[(4-cyclopropyl-1,5-naphthyridin-3-yl)amino]phenyl]-2,2,2-trifluoroethyl]-N-methyloxane-2-carboxamide is CN(C(=O)C1CCCCO1)[C@@H](c1ccc(Nc2cnc3cccnc3c2C2CC2)cc1)C(F)(F)F.
What is the InChIKey of N-[(1S)-1-[4-[(4-cyclopropyl-1,5-naphthyridin-3-yl)amino]phenyl]-2,2,2-trifluoroethyl]-N-methyloxane-2-carboxamide?
The InChIKey is QTFNYCFRRLLRQT-FHZUCYEKSA-N. The full InChI is InChI=1S/C26H27F3N4O2/c1-33(25(34)21-6-2-3-14-35-21)24(26(27,28)29)17-9-11-18(12-10-17)32-20-15-31-19-5-4-13-30-23(19)22(20)16-7-8-16/h4-5,9-13,15-16,21,24,32H,2-3,6-8,14H2,1H3/t21?,24-/m0/s1.
What are the key properties of N-[(1S)-1-[4-[(4-cyclopropyl-1,5-naphthyridin-3-yl)amino]phenyl]-2,2,2-trifluoroethyl]-N-methyloxane-2-carboxamide?
N-[(1S)-1-[4-[(4-cyclopropyl-1,5-naphthyridin-3-yl)amino]phenyl]-2,2,2-trifluoroethyl]-N-methyloxane-2-carboxamide has a molecular weight of 484.52 g/mol, XLogP of 5.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[4-[(4-cyclopropyl-1,5-naphthyridin-3-yl)amino]phenyl]-2,2,2-trifluoroethyl]-N-methyloxane-2-carboxamide is sourced from PubChem (CID 163260737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).