propan-2-yl (2R,4S)-6-amino-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]-2-ethyl-7-methyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate

C26H30F6N8O2 — CID 70695893

IUPACpropan-2-yl (2R,4S)-6-amino-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]-2-ethyl-7-methyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
SMILESCC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)c2nc(N)c(C)cc2N1C(=O)OC(C)C
InChIInChI=1S/C26H30F6N8O2/c1-6-18-11-19(21-20(7-14(4)22(33)34-21)40(18)24(41)42-13(2)3)39(23-35-37-38(5)36-23)12-15-8-16(25(27,28)29)10-17(9-15)26(30,31)32/h7-10,13,18-19H,6,11-12H2,1-5H3,(H2,33,34)/t18-,19+/m1/s1
InChIKeyDCCPNEHTSAOZQC-MOPGFXCFSA-N
MW600.57 g/mol
LogP5.81
Rot. Bonds6

About propan-2-yl (2R,4S)-6-amino-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]-2-ethyl-7-methyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate

propan-2-yl (2R,4S)-6-amino-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]-2-ethyl-7-methyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate (PubChem CID 70695893) has the molecular formula C26H30F6N8O2 and a molecular weight of 600.57 g/mol. Its IUPAC name is propan-2-yl (2R,4S)-6-amino-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]-2-ethyl-7-methyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl (2R,4S)-6-amino-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]-2-ethyl-7-methyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
PubChem CID70695893
Molecular FormulaC26H30F6N8O2
Molecular Weight600.57 g/mol
Exact Mass600.24
IUPAC Namepropan-2-yl (2R,4S)-6-amino-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]-2-ethyl-7-methyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
SMILESCC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)c2nc(N)c(C)cc2N1C(=O)OC(C)C
InChIInChI=1S/C26H30F6N8O2/c1-6-18-11-19(21-20(7-14(4)22(33)34-21)40(18)24(41)42-13(2)3)39(23-35-37-38(5)36-23)12-15-8-16(25(27,28)29)10-17(9-15)26(30,31)32/h7-10,13,18-19H,6,11-12H2,1-5H3,(H2,33,34)/t18-,19+/m1/s1
InChIKeyDCCPNEHTSAOZQC-MOPGFXCFSA-N
XLogP5.81
TPSA115.29 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.57
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze propan-2-yl (2R,4S)-6-amino-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]-2-ethyl-7-methyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2R,4S)-6-amino-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]-2-ethyl-7-methyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate?
The IUPAC name of propan-2-yl (2R,4S)-6-amino-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]-2-ethyl-7-methyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate (CID 70695893) is propan-2-yl (2R,4S)-6-amino-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]-2-ethyl-7-methyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate.
What is the SMILES notation for propan-2-yl (2R,4S)-6-amino-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]-2-ethyl-7-methyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate?
The canonical SMILES for propan-2-yl (2R,4S)-6-amino-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]-2-ethyl-7-methyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate is CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)c2nc(N)c(C)cc2N1C(=O)OC(C)C.
What is the InChIKey of propan-2-yl (2R,4S)-6-amino-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]-2-ethyl-7-methyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate?
The InChIKey is DCCPNEHTSAOZQC-MOPGFXCFSA-N. The full InChI is InChI=1S/C26H30F6N8O2/c1-6-18-11-19(21-20(7-14(4)22(33)34-21)40(18)24(41)42-13(2)3)39(23-35-37-38(5)36-23)12-15-8-16(25(27,28)29)10-17(9-15)26(30,31)32/h7-10,13,18-19H,6,11-12H2,1-5H3,(H2,33,34)/t18-,19+/m1/s1.
What are the key properties of propan-2-yl (2R,4S)-6-amino-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]-2-ethyl-7-methyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate?
propan-2-yl (2R,4S)-6-amino-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]-2-ethyl-7-methyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate has a molecular weight of 600.57 g/mol, XLogP of 5.81, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2R,4S)-6-amino-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]-2-ethyl-7-methyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate is sourced from PubChem (CID 70695893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).