ethyl (2R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]amino]-2-ethyl-6-methoxy-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate

C31H31F6N5O4 — CID 58808400

IUPACethyl (2R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]amino]-2-ethyl-6-methoxy-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
SMILESCCOC(=O)N1c2ccc(OC)nc2C(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(C3=NCCO3)cn2)C[C@H]1CC
InChIInChI=1S/C31H31F6N5O4/c1-4-22-15-24(27-23(7-9-26(40-27)44-3)42(22)29(43)45-5-2)41(25-8-6-19(16-39-25)28-38-10-11-46-28)17-18-12-20(30(32,33)34)14-21(13-18)31(35,36)37/h6-9,12-14,16,22,24H,4-5,10-11,15,17H2,1-3H3/t22-,24?/m1/s1
InChIKeyCIDMGMZJMVZNEP-LETIRJCYSA-N
MW651.61 g/mol
LogP7.19
Rot. Bonds8

About ethyl (2R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]amino]-2-ethyl-6-methoxy-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate

ethyl (2R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]amino]-2-ethyl-6-methoxy-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate (PubChem CID 58808400) has the molecular formula C31H31F6N5O4 and a molecular weight of 651.61 g/mol. Its IUPAC name is ethyl (2R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]amino]-2-ethyl-6-methoxy-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate.

Molecular Properties

Compound Nameethyl (2R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]amino]-2-ethyl-6-methoxy-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
PubChem CID58808400
Molecular FormulaC31H31F6N5O4
Molecular Weight651.61 g/mol
Exact Mass651.23
IUPAC Nameethyl (2R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]amino]-2-ethyl-6-methoxy-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
SMILESCCOC(=O)N1c2ccc(OC)nc2C(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(C3=NCCO3)cn2)C[C@H]1CC
InChIInChI=1S/C31H31F6N5O4/c1-4-22-15-24(27-23(7-9-26(40-27)44-3)42(22)29(43)45-5-2)41(25-8-6-19(16-39-25)28-38-10-11-46-28)17-18-12-20(30(32,33)34)14-21(13-18)31(35,36)37/h6-9,12-14,16,22,24H,4-5,10-11,15,17H2,1-3H3/t22-,24?/m1/s1
InChIKeyCIDMGMZJMVZNEP-LETIRJCYSA-N
XLogP7.19
TPSA89.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.61
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl (2R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]amino]-2-ethyl-6-methoxy-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]amino]-2-ethyl-6-methoxy-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate?
The IUPAC name of ethyl (2R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]amino]-2-ethyl-6-methoxy-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate (CID 58808400) is ethyl (2R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]amino]-2-ethyl-6-methoxy-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate.
What is the SMILES notation for ethyl (2R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]amino]-2-ethyl-6-methoxy-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate?
The canonical SMILES for ethyl (2R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]amino]-2-ethyl-6-methoxy-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate is CCOC(=O)N1c2ccc(OC)nc2C(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(C3=NCCO3)cn2)C[C@H]1CC.
What is the InChIKey of ethyl (2R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]amino]-2-ethyl-6-methoxy-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate?
The InChIKey is CIDMGMZJMVZNEP-LETIRJCYSA-N. The full InChI is InChI=1S/C31H31F6N5O4/c1-4-22-15-24(27-23(7-9-26(40-27)44-3)42(22)29(43)45-5-2)41(25-8-6-19(16-39-25)28-38-10-11-46-28)17-18-12-20(30(32,33)34)14-21(13-18)31(35,36)37/h6-9,12-14,16,22,24H,4-5,10-11,15,17H2,1-3H3/t22-,24?/m1/s1.
What are the key properties of ethyl (2R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]amino]-2-ethyl-6-methoxy-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate?
ethyl (2R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]amino]-2-ethyl-6-methoxy-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate has a molecular weight of 651.61 g/mol, XLogP of 7.19, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]amino]-2-ethyl-6-methoxy-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate is sourced from PubChem (CID 58808400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).