1-[2-[(3R,4R)-3-hydroxy-4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one

C24H27F3N4O3 — CID 58579382

IUPAC1-[2-[(3R,4R)-3-hydroxy-4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one
SMILESCOc1cnc2ccc(=O)n(CCN3CC[C@@H](CCc4ccc(C(F)(F)F)nc4)[C@@H](O)C3)c2c1
InChIInChI=1S/C24H27F3N4O3/c1-34-18-12-20-19(28-14-18)5-7-23(33)31(20)11-10-30-9-8-17(21(32)15-30)4-2-16-3-6-22(29-13-16)24(25,26)27/h3,5-7,12-14,17,21,32H,2,4,8-11,15H2,1H3/t17-,21+/m1/s1
InChIKeyIDYZQNAPNNHAGA-UTKZUKDTSA-N
MW476.50 g/mol
LogP3.13
Rot. Bonds7

About 1-[2-[(3R,4R)-3-hydroxy-4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one

1-[2-[(3R,4R)-3-hydroxy-4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one (PubChem CID 58579382) has the molecular formula C24H27F3N4O3 and a molecular weight of 476.50 g/mol. Its IUPAC name is 1-[2-[(3R,4R)-3-hydroxy-4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name1-[2-[(3R,4R)-3-hydroxy-4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one
PubChem CID58579382
Molecular FormulaC24H27F3N4O3
Molecular Weight476.50 g/mol
Exact Mass476.20
IUPAC Name1-[2-[(3R,4R)-3-hydroxy-4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one
SMILESCOc1cnc2ccc(=O)n(CCN3CC[C@@H](CCc4ccc(C(F)(F)F)nc4)[C@@H](O)C3)c2c1
InChIInChI=1S/C24H27F3N4O3/c1-34-18-12-20-19(28-14-18)5-7-23(33)31(20)11-10-30-9-8-17(21(32)15-30)4-2-16-3-6-22(29-13-16)24(25,26)27/h3,5-7,12-14,17,21,32H,2,4,8-11,15H2,1H3/t17-,21+/m1/s1
InChIKeyIDYZQNAPNNHAGA-UTKZUKDTSA-N
XLogP3.13
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.50
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3R,4R)-3-hydroxy-4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one?
The IUPAC name of 1-[2-[(3R,4R)-3-hydroxy-4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one (CID 58579382) is 1-[2-[(3R,4R)-3-hydroxy-4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one.
What is the SMILES notation for 1-[2-[(3R,4R)-3-hydroxy-4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one?
The canonical SMILES for 1-[2-[(3R,4R)-3-hydroxy-4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one is COc1cnc2ccc(=O)n(CCN3CC[C@@H](CCc4ccc(C(F)(F)F)nc4)[C@@H](O)C3)c2c1.
What is the InChIKey of 1-[2-[(3R,4R)-3-hydroxy-4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one?
The InChIKey is IDYZQNAPNNHAGA-UTKZUKDTSA-N. The full InChI is InChI=1S/C24H27F3N4O3/c1-34-18-12-20-19(28-14-18)5-7-23(33)31(20)11-10-30-9-8-17(21(32)15-30)4-2-16-3-6-22(29-13-16)24(25,26)27/h3,5-7,12-14,17,21,32H,2,4,8-11,15H2,1H3/t17-,21+/m1/s1.
What are the key properties of 1-[2-[(3R,4R)-3-hydroxy-4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one?
1-[2-[(3R,4R)-3-hydroxy-4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one has a molecular weight of 476.50 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3R,4R)-3-hydroxy-4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one is sourced from PubChem (CID 58579382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).