6-[1-[3-(cyclopropylmethyl)-1-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]pyrrolidin-3-yl]ethenyl]-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine

C31H38F3N3O — CID 89012286

IUPAC6-[1-[3-(cyclopropylmethyl)-1-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]pyrrolidin-3-yl]ethenyl]-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine
SMILESC=C(N1CCc2ncc(C(F)(F)F)cc2C1)C1(CC2CC2)CCN(Cc2ccc3c(c2)CCC(C)(C)O3)C1
InChIInChI=1S/C31H38F3N3O/c1-21(37-12-9-27-25(19-37)15-26(17-35-27)31(32,33)34)30(16-22-4-5-22)11-13-36(20-30)18-23-6-7-28-24(14-23)8-10-29(2,3)38-28/h6-7,14-15,17,22H,1,4-5,8-13,16,18-20H2,2-3H3
InChIKeyAJIIXEJYUJSIRG-UHFFFAOYSA-N
MW525.66 g/mol
LogP6.77
Rot. Bonds6

About 6-[1-[3-(cyclopropylmethyl)-1-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]pyrrolidin-3-yl]ethenyl]-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine

6-[1-[3-(cyclopropylmethyl)-1-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]pyrrolidin-3-yl]ethenyl]-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine (PubChem CID 89012286) has the molecular formula C31H38F3N3O and a molecular weight of 525.66 g/mol. Its IUPAC name is 6-[1-[3-(cyclopropylmethyl)-1-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]pyrrolidin-3-yl]ethenyl]-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine.

Molecular Properties

Compound Name6-[1-[3-(cyclopropylmethyl)-1-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]pyrrolidin-3-yl]ethenyl]-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine
PubChem CID89012286
Molecular FormulaC31H38F3N3O
Molecular Weight525.66 g/mol
Exact Mass525.30
IUPAC Name6-[1-[3-(cyclopropylmethyl)-1-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]pyrrolidin-3-yl]ethenyl]-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine
SMILESC=C(N1CCc2ncc(C(F)(F)F)cc2C1)C1(CC2CC2)CCN(Cc2ccc3c(c2)CCC(C)(C)O3)C1
InChIInChI=1S/C31H38F3N3O/c1-21(37-12-9-27-25(19-37)15-26(17-35-27)31(32,33)34)30(16-22-4-5-22)11-13-36(20-30)18-23-6-7-28-24(14-23)8-10-29(2,3)38-28/h6-7,14-15,17,22H,1,4-5,8-13,16,18-20H2,2-3H3
InChIKeyAJIIXEJYUJSIRG-UHFFFAOYSA-N
XLogP6.77
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.66
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[1-[3-(cyclopropylmethyl)-1-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]pyrrolidin-3-yl]ethenyl]-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[3-(cyclopropylmethyl)-1-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]pyrrolidin-3-yl]ethenyl]-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine?
The IUPAC name of 6-[1-[3-(cyclopropylmethyl)-1-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]pyrrolidin-3-yl]ethenyl]-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine (CID 89012286) is 6-[1-[3-(cyclopropylmethyl)-1-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]pyrrolidin-3-yl]ethenyl]-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine.
What is the SMILES notation for 6-[1-[3-(cyclopropylmethyl)-1-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]pyrrolidin-3-yl]ethenyl]-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine?
The canonical SMILES for 6-[1-[3-(cyclopropylmethyl)-1-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]pyrrolidin-3-yl]ethenyl]-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine is C=C(N1CCc2ncc(C(F)(F)F)cc2C1)C1(CC2CC2)CCN(Cc2ccc3c(c2)CCC(C)(C)O3)C1.
What is the InChIKey of 6-[1-[3-(cyclopropylmethyl)-1-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]pyrrolidin-3-yl]ethenyl]-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine?
The InChIKey is AJIIXEJYUJSIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38F3N3O/c1-21(37-12-9-27-25(19-37)15-26(17-35-27)31(32,33)34)30(16-22-4-5-22)11-13-36(20-30)18-23-6-7-28-24(14-23)8-10-29(2,3)38-28/h6-7,14-15,17,22H,1,4-5,8-13,16,18-20H2,2-3H3.
What are the key properties of 6-[1-[3-(cyclopropylmethyl)-1-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]pyrrolidin-3-yl]ethenyl]-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine?
6-[1-[3-(cyclopropylmethyl)-1-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]pyrrolidin-3-yl]ethenyl]-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine has a molecular weight of 525.66 g/mol, XLogP of 6.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[3-(cyclopropylmethyl)-1-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]pyrrolidin-3-yl]ethenyl]-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine is sourced from PubChem (CID 89012286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).