2,2,2-trifluoroethyl 7-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylate

C22H22F3N7O3 — CID 142483965

IUPAC2,2,2-trifluoroethyl 7-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylate
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(C(=O)OCC(F)(F)F)C3)n1
InChIInChI=1S/C22H22F3N7O3/c1-13(2)32-12-27-30-19(32)16-4-3-5-18(28-16)29-20(33)17-8-15-10-31(7-6-14(15)9-26-17)21(34)35-11-22(23,24)25/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3,(H,28,29,33)
InChIKeyJXTSSIYTEGQNNH-UHFFFAOYSA-N
MW489.46 g/mol
LogP3.63
Rot. Bonds5

About 2,2,2-trifluoroethyl 7-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylate

2,2,2-trifluoroethyl 7-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylate (PubChem CID 142483965) has the molecular formula C22H22F3N7O3 and a molecular weight of 489.46 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl 7-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl 7-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylate
PubChem CID142483965
Molecular FormulaC22H22F3N7O3
Molecular Weight489.46 g/mol
Exact Mass489.17
IUPAC Name2,2,2-trifluoroethyl 7-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylate
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(C(=O)OCC(F)(F)F)C3)n1
InChIInChI=1S/C22H22F3N7O3/c1-13(2)32-12-27-30-19(32)16-4-3-5-18(28-16)29-20(33)17-8-15-10-31(7-6-14(15)9-26-17)21(34)35-11-22(23,24)25/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3,(H,28,29,33)
InChIKeyJXTSSIYTEGQNNH-UHFFFAOYSA-N
XLogP3.63
TPSA115.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.46
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2,2,2-trifluoroethyl 7-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl 7-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylate?
The IUPAC name of 2,2,2-trifluoroethyl 7-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylate (CID 142483965) is 2,2,2-trifluoroethyl 7-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylate.
What is the SMILES notation for 2,2,2-trifluoroethyl 7-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylate?
The canonical SMILES for 2,2,2-trifluoroethyl 7-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylate is CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(C(=O)OCC(F)(F)F)C3)n1.
What is the InChIKey of 2,2,2-trifluoroethyl 7-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylate?
The InChIKey is JXTSSIYTEGQNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N7O3/c1-13(2)32-12-27-30-19(32)16-4-3-5-18(28-16)29-20(33)17-8-15-10-31(7-6-14(15)9-26-17)21(34)35-11-22(23,24)25/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3,(H,28,29,33).
What are the key properties of 2,2,2-trifluoroethyl 7-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylate?
2,2,2-trifluoroethyl 7-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylate has a molecular weight of 489.46 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl 7-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylate is sourced from PubChem (CID 142483965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).