5-chloro-6-[7-(methoxymethyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carboxylic acid

C22H15ClF3N5O3 — CID 58645507

IUPAC5-chloro-6-[7-(methoxymethyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carboxylic acid
SMILESCOCc1cc(Nc2ccc(C(F)(F)F)cn2)c2ccc(-c3nc(C(=O)O)ccc3Cl)nc2n1
InChIInChI=1S/C22H15ClF3N5O3/c1-34-10-12-8-17(29-18-7-2-11(9-27-18)22(24,25)26)13-3-5-15(31-20(13)28-12)19-14(23)4-6-16(30-19)21(32)33/h2-9H,10H2,1H3,(H,32,33)(H,27,28,29,31)
InChIKeyKKNBVDCOXHUYHH-UHFFFAOYSA-N
MW489.84 g/mol
LogP5.35
Rot. Bonds6

About 5-chloro-6-[7-(methoxymethyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carboxylic acid

5-chloro-6-[7-(methoxymethyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carboxylic acid (PubChem CID 58645507) has the molecular formula C22H15ClF3N5O3 and a molecular weight of 489.84 g/mol. Its IUPAC name is 5-chloro-6-[7-(methoxymethyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-[7-(methoxymethyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carboxylic acid
PubChem CID58645507
Molecular FormulaC22H15ClF3N5O3
Molecular Weight489.84 g/mol
Exact Mass489.08
IUPAC Name5-chloro-6-[7-(methoxymethyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carboxylic acid
SMILESCOCc1cc(Nc2ccc(C(F)(F)F)cn2)c2ccc(-c3nc(C(=O)O)ccc3Cl)nc2n1
InChIInChI=1S/C22H15ClF3N5O3/c1-34-10-12-8-17(29-18-7-2-11(9-27-18)22(24,25)26)13-3-5-15(31-20(13)28-12)19-14(23)4-6-16(30-19)21(32)33/h2-9H,10H2,1H3,(H,32,33)(H,27,28,29,31)
InChIKeyKKNBVDCOXHUYHH-UHFFFAOYSA-N
XLogP5.35
TPSA110.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.84
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[7-(methoxymethyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carboxylic acid?
The IUPAC name of 5-chloro-6-[7-(methoxymethyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carboxylic acid (CID 58645507) is 5-chloro-6-[7-(methoxymethyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-chloro-6-[7-(methoxymethyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-chloro-6-[7-(methoxymethyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carboxylic acid is COCc1cc(Nc2ccc(C(F)(F)F)cn2)c2ccc(-c3nc(C(=O)O)ccc3Cl)nc2n1.
What is the InChIKey of 5-chloro-6-[7-(methoxymethyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carboxylic acid?
The InChIKey is KKNBVDCOXHUYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClF3N5O3/c1-34-10-12-8-17(29-18-7-2-11(9-27-18)22(24,25)26)13-3-5-15(31-20(13)28-12)19-14(23)4-6-16(30-19)21(32)33/h2-9H,10H2,1H3,(H,32,33)(H,27,28,29,31).
What are the key properties of 5-chloro-6-[7-(methoxymethyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carboxylic acid?
5-chloro-6-[7-(methoxymethyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carboxylic acid has a molecular weight of 489.84 g/mol, XLogP of 5.35, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[7-(methoxymethyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 58645507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).