(2R,4S)-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2-pyridinyl]-2-ethyl-6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridin-4-amine

C29H31F6N5O2 — CID 87890807

IUPAC(2R,4S)-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2-pyridinyl]-2-ethyl-6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridin-4-amine
SMILESCC[C@@H]1C[C@H](Nc2ncc(N3CCOCC3)cc2Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nc(OC)ccc2N1
InChIInChI=1S/C29H31F6N5O2/c1-3-21-15-24(26-23(37-21)4-5-25(39-26)41-2)38-27-18(13-22(16-36-27)40-6-8-42-9-7-40)10-17-11-19(28(30,31)32)14-20(12-17)29(33,34)35/h4-5,11-14,16,21,24,37H,3,6-10,15H2,1-2H3,(H,36,38)/t21-,24+/m1/s1
InChIKeyLRHVFBINONIMMF-QPPBQGQZSA-N
MW595.59 g/mol
LogP6.70
Rot. Bonds7

About (2R,4S)-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2-pyridinyl]-2-ethyl-6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridin-4-amine

(2R,4S)-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2-pyridinyl]-2-ethyl-6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridin-4-amine (PubChem CID 87890807) has the molecular formula C29H31F6N5O2 and a molecular weight of 595.59 g/mol. Its IUPAC name is (2R,4S)-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2-pyridinyl]-2-ethyl-6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridin-4-amine.

Molecular Properties

Compound Name(2R,4S)-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2-pyridinyl]-2-ethyl-6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridin-4-amine
PubChem CID87890807
Molecular FormulaC29H31F6N5O2
Molecular Weight595.59 g/mol
Exact Mass595.24
IUPAC Name(2R,4S)-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2-pyridinyl]-2-ethyl-6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridin-4-amine
SMILESCC[C@@H]1C[C@H](Nc2ncc(N3CCOCC3)cc2Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nc(OC)ccc2N1
InChIInChI=1S/C29H31F6N5O2/c1-3-21-15-24(26-23(37-21)4-5-25(39-26)41-2)38-27-18(13-22(16-36-27)40-6-8-42-9-7-40)10-17-11-19(28(30,31)32)14-20(12-17)29(33,34)35/h4-5,11-14,16,21,24,37H,3,6-10,15H2,1-2H3,(H,36,38)/t21-,24+/m1/s1
InChIKeyLRHVFBINONIMMF-QPPBQGQZSA-N
XLogP6.70
TPSA71.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.59
LogP ≤ 56.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2R,4S)-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2-pyridinyl]-2-ethyl-6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2-pyridinyl]-2-ethyl-6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridin-4-amine?
The IUPAC name of (2R,4S)-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2-pyridinyl]-2-ethyl-6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridin-4-amine (CID 87890807) is (2R,4S)-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2-pyridinyl]-2-ethyl-6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridin-4-amine.
What is the SMILES notation for (2R,4S)-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2-pyridinyl]-2-ethyl-6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridin-4-amine?
The canonical SMILES for (2R,4S)-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2-pyridinyl]-2-ethyl-6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridin-4-amine is CC[C@@H]1C[C@H](Nc2ncc(N3CCOCC3)cc2Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nc(OC)ccc2N1.
What is the InChIKey of (2R,4S)-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2-pyridinyl]-2-ethyl-6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridin-4-amine?
The InChIKey is LRHVFBINONIMMF-QPPBQGQZSA-N. The full InChI is InChI=1S/C29H31F6N5O2/c1-3-21-15-24(26-23(37-21)4-5-25(39-26)41-2)38-27-18(13-22(16-36-27)40-6-8-42-9-7-40)10-17-11-19(28(30,31)32)14-20(12-17)29(33,34)35/h4-5,11-14,16,21,24,37H,3,6-10,15H2,1-2H3,(H,36,38)/t21-,24+/m1/s1.
What are the key properties of (2R,4S)-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2-pyridinyl]-2-ethyl-6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridin-4-amine?
(2R,4S)-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2-pyridinyl]-2-ethyl-6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridin-4-amine has a molecular weight of 595.59 g/mol, XLogP of 6.70, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2-pyridinyl]-2-ethyl-6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridin-4-amine is sourced from PubChem (CID 87890807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).