7-[5-[(1R)-1,2-dihydroxyethyl]-3-methyl-2-pyridinyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridine-3-carboxylic acid

C23H18F3N5O4 — CID 46214595

IUPAC7-[5-[(1R)-1,2-dihydroxyethyl]-3-methyl-2-pyridinyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridine-3-carboxylic acid
SMILESCc1cc([C@@H](O)CO)cnc1-c1ccc2c(Nc3ccc(C(F)(F)F)cn3)c(C(=O)O)cnc2n1
InChIInChI=1S/C23H18F3N5O4/c1-11-6-12(17(33)10-32)7-28-19(11)16-4-3-14-20(15(22(34)35)9-29-21(14)30-16)31-18-5-2-13(8-27-18)23(24,25)26/h2-9,17,32-33H,10H2,1H3,(H,34,35)(H,27,29,30,31)/t17-/m0/s1
InChIKeyOIQWDBRLXLVKOB-KRWDZBQOSA-N
MW485.42 g/mol
LogP3.88
Rot. Bonds6

About 7-[5-[(1R)-1,2-dihydroxyethyl]-3-methyl-2-pyridinyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridine-3-carboxylic acid

7-[5-[(1R)-1,2-dihydroxyethyl]-3-methyl-2-pyridinyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridine-3-carboxylic acid (PubChem CID 46214595) has the molecular formula C23H18F3N5O4 and a molecular weight of 485.42 g/mol. Its IUPAC name is 7-[5-[(1R)-1,2-dihydroxyethyl]-3-methyl-2-pyridinyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-[5-[(1R)-1,2-dihydroxyethyl]-3-methyl-2-pyridinyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridine-3-carboxylic acid
PubChem CID46214595
Molecular FormulaC23H18F3N5O4
Molecular Weight485.42 g/mol
Exact Mass485.13
IUPAC Name7-[5-[(1R)-1,2-dihydroxyethyl]-3-methyl-2-pyridinyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridine-3-carboxylic acid
SMILESCc1cc([C@@H](O)CO)cnc1-c1ccc2c(Nc3ccc(C(F)(F)F)cn3)c(C(=O)O)cnc2n1
InChIInChI=1S/C23H18F3N5O4/c1-11-6-12(17(33)10-32)7-28-19(11)16-4-3-14-20(15(22(34)35)9-29-21(14)30-16)31-18-5-2-13(8-27-18)23(24,25)26/h2-9,17,32-33H,10H2,1H3,(H,34,35)(H,27,29,30,31)/t17-/m0/s1
InChIKeyOIQWDBRLXLVKOB-KRWDZBQOSA-N
XLogP3.88
TPSA141.35 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.42
LogP ≤ 53.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[5-[(1R)-1,2-dihydroxyethyl]-3-methyl-2-pyridinyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-[5-[(1R)-1,2-dihydroxyethyl]-3-methyl-2-pyridinyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridine-3-carboxylic acid (CID 46214595) is 7-[5-[(1R)-1,2-dihydroxyethyl]-3-methyl-2-pyridinyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-[5-[(1R)-1,2-dihydroxyethyl]-3-methyl-2-pyridinyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-[5-[(1R)-1,2-dihydroxyethyl]-3-methyl-2-pyridinyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridine-3-carboxylic acid is Cc1cc([C@@H](O)CO)cnc1-c1ccc2c(Nc3ccc(C(F)(F)F)cn3)c(C(=O)O)cnc2n1.
What is the InChIKey of 7-[5-[(1R)-1,2-dihydroxyethyl]-3-methyl-2-pyridinyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is OIQWDBRLXLVKOB-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H18F3N5O4/c1-11-6-12(17(33)10-32)7-28-19(11)16-4-3-14-20(15(22(34)35)9-29-21(14)30-16)31-18-5-2-13(8-27-18)23(24,25)26/h2-9,17,32-33H,10H2,1H3,(H,34,35)(H,27,29,30,31)/t17-/m0/s1.
What are the key properties of 7-[5-[(1R)-1,2-dihydroxyethyl]-3-methyl-2-pyridinyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridine-3-carboxylic acid?
7-[5-[(1R)-1,2-dihydroxyethyl]-3-methyl-2-pyridinyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 485.42 g/mol, XLogP of 3.88, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-[(1R)-1,2-dihydroxyethyl]-3-methyl-2-pyridinyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 46214595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).