6-[5-[[4-(2,2-dimethylcyclopropyl)-5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]-5-(trifluoromethyl)pyridine-2-carboxylic acid

C26H19F6N5O2 — CID 143215454

IUPAC6-[5-[[4-(2,2-dimethylcyclopropyl)-5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]-5-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESCC1(C)CC1c1cc(Nc2ccnc3nc(-c4nc(C(=O)O)ccc4C(F)(F)F)ccc23)ncc1C(F)(F)F
InChIInChI=1S/C26H19F6N5O2/c1-24(2)10-15(24)13-9-20(34-11-16(13)26(30,31)32)35-17-7-8-33-22-12(17)3-5-18(37-22)21-14(25(27,28)29)4-6-19(36-21)23(38)39/h3-9,11,15H,10H2,1-2H3,(H,38,39)(H,33,34,35,37)
InChIKeyBDFWRSUYGHUFKM-UHFFFAOYSA-N
MW547.46 g/mol
LogP7.08
Rot. Bonds5

About 6-[5-[[4-(2,2-dimethylcyclopropyl)-5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]-5-(trifluoromethyl)pyridine-2-carboxylic acid

6-[5-[[4-(2,2-dimethylcyclopropyl)-5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]-5-(trifluoromethyl)pyridine-2-carboxylic acid (PubChem CID 143215454) has the molecular formula C26H19F6N5O2 and a molecular weight of 547.46 g/mol. Its IUPAC name is 6-[5-[[4-(2,2-dimethylcyclopropyl)-5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]-5-(trifluoromethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[5-[[4-(2,2-dimethylcyclopropyl)-5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]-5-(trifluoromethyl)pyridine-2-carboxylic acid
PubChem CID143215454
Molecular FormulaC26H19F6N5O2
Molecular Weight547.46 g/mol
Exact Mass547.14
IUPAC Name6-[5-[[4-(2,2-dimethylcyclopropyl)-5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]-5-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESCC1(C)CC1c1cc(Nc2ccnc3nc(-c4nc(C(=O)O)ccc4C(F)(F)F)ccc23)ncc1C(F)(F)F
InChIInChI=1S/C26H19F6N5O2/c1-24(2)10-15(24)13-9-20(34-11-16(13)26(30,31)32)35-17-7-8-33-22-12(17)3-5-18(37-22)21-14(25(27,28)29)4-6-19(36-21)23(38)39/h3-9,11,15H,10H2,1-2H3,(H,38,39)(H,33,34,35,37)
InChIKeyBDFWRSUYGHUFKM-UHFFFAOYSA-N
XLogP7.08
TPSA100.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.46
LogP ≤ 57.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[5-[[4-(2,2-dimethylcyclopropyl)-5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]-5-(trifluoromethyl)pyridine-2-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

3-(Cyclopropylamino)-5-(3-(trifluoromethyl)phenylamino)pyrimido(4,5-c)quinoline-8-carboxylic acid
CID 49779959
5-(Trifluoromethyl)-6-(8-(5-(trifluoromethyl)pyridin-2-ylamino)pyrido[2,3-b]pyrazin-3-yl)nicotinic acid
CID 49863891
5-[3-(Trifluoromethyl)anilino]pyrimido[4,5-c]quinoline-8-carboxylic acid
CID 53326157
3-(Trifluoromethyl)-2-(5-(5-(trifluoromethyl)pyridin-2-ylamino)-1,8-naphthyridin-2-yl)isonicotinic acid
CID 49863868
5-fluoro-4-[[2-[(1R)-1-hydroxy-1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-yl]amino]pyridine-2-carboxamide
CID 166629991
5-(Cyclopropylamino)-3-[3-(trifluoromethyl)anilino]pyrimido[4,5-c]quinoline-8-carboxylic acid
CID 57664046
3-(Cyclopropylamino)-5-(pyridin-3-ylmethylamino)pyrimido[4,5-c]quinoline-8-carboxylic acid
CID 57664053
5-(Cyclopropylamino)-3-(pyridin-2-ylmethylamino)pyrimido[4,5-c]quinoline-8-carboxylic acid
CID 57664062
5-(Cyclopropylamino)-3-(pyridin-4-ylmethylamino)pyrimido[4,5-c]quinoline-8-carboxylic acid
CID 57664204
3-Amino-5-[3-(trifluoromethyl)anilino]pyrimido[4,5-c]quinoline-8-carboxylic acid
CID 57664237
5-(Trifluoromethyl)-2-(7-(3-(trifluoromethyl)pyridin-2-yl)-1,8-naphthyridin-4-ylamino)pyrimidine-4-carboxylic acid
CID 49863802
6-(2-Bromophenyl)-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidine-7-carboxylic acid
CID 21075451

Frequently Asked Questions

What is the IUPAC name of 6-[5-[[4-(2,2-dimethylcyclopropyl)-5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]-5-(trifluoromethyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-[5-[[4-(2,2-dimethylcyclopropyl)-5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]-5-(trifluoromethyl)pyridine-2-carboxylic acid (CID 143215454) is 6-[5-[[4-(2,2-dimethylcyclopropyl)-5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]-5-(trifluoromethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[5-[[4-(2,2-dimethylcyclopropyl)-5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]-5-(trifluoromethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-[5-[[4-(2,2-dimethylcyclopropyl)-5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]-5-(trifluoromethyl)pyridine-2-carboxylic acid is CC1(C)CC1c1cc(Nc2ccnc3nc(-c4nc(C(=O)O)ccc4C(F)(F)F)ccc23)ncc1C(F)(F)F.
What is the InChIKey of 6-[5-[[4-(2,2-dimethylcyclopropyl)-5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]-5-(trifluoromethyl)pyridine-2-carboxylic acid?
The InChIKey is BDFWRSUYGHUFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F6N5O2/c1-24(2)10-15(24)13-9-20(34-11-16(13)26(30,31)32)35-17-7-8-33-22-12(17)3-5-18(37-22)21-14(25(27,28)29)4-6-19(36-21)23(38)39/h3-9,11,15H,10H2,1-2H3,(H,38,39)(H,33,34,35,37).
What are the key properties of 6-[5-[[4-(2,2-dimethylcyclopropyl)-5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]-5-(trifluoromethyl)pyridine-2-carboxylic acid?
6-[5-[[4-(2,2-dimethylcyclopropyl)-5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]-5-(trifluoromethyl)pyridine-2-carboxylic acid has a molecular weight of 547.46 g/mol, XLogP of 7.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[[4-(2,2-dimethylcyclopropyl)-5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]-5-(trifluoromethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 143215454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).