N-[4,4-dimethyl-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoquinolin-7-yl]-6-[3-(fluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridin-1-amine

C31H39FN6O — CID 71072181

IUPACN-[4,4-dimethyl-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoquinolin-7-yl]-6-[3-(fluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridin-1-amine
SMILESCC1(C)CN(CCN2CCOCC2)Cc2cc(Nc3nccc4c3CCN(c3ncccc3CF)C4)ccc21
InChIInChI=1S/C31H39FN6O/c1-31(2)22-37(13-12-36-14-16-39-17-15-36)20-25-18-26(5-6-28(25)31)35-29-27-8-11-38(21-24(27)7-10-33-29)30-23(19-32)4-3-9-34-30/h3-7,9-10,18H,8,11-17,19-22H2,1-2H3,(H,33,35)
InChIKeyIXCKDLPOPRLDHQ-UHFFFAOYSA-N
MW530.69 g/mol
LogP4.68
Rot. Bonds7

About N-[4,4-dimethyl-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoquinolin-7-yl]-6-[3-(fluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridin-1-amine

N-[4,4-dimethyl-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoquinolin-7-yl]-6-[3-(fluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridin-1-amine (PubChem CID 71072181) has the molecular formula C31H39FN6O and a molecular weight of 530.69 g/mol. Its IUPAC name is N-[4,4-dimethyl-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoquinolin-7-yl]-6-[3-(fluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridin-1-amine.

Molecular Properties

Compound NameN-[4,4-dimethyl-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoquinolin-7-yl]-6-[3-(fluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridin-1-amine
PubChem CID71072181
Molecular FormulaC31H39FN6O
Molecular Weight530.69 g/mol
Exact Mass530.32
IUPAC NameN-[4,4-dimethyl-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoquinolin-7-yl]-6-[3-(fluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridin-1-amine
SMILESCC1(C)CN(CCN2CCOCC2)Cc2cc(Nc3nccc4c3CCN(c3ncccc3CF)C4)ccc21
InChIInChI=1S/C31H39FN6O/c1-31(2)22-37(13-12-36-14-16-39-17-15-36)20-25-18-26(5-6-28(25)31)35-29-27-8-11-38(21-24(27)7-10-33-29)30-23(19-32)4-3-9-34-30/h3-7,9-10,18H,8,11-17,19-22H2,1-2H3,(H,33,35)
InChIKeyIXCKDLPOPRLDHQ-UHFFFAOYSA-N
XLogP4.68
TPSA56.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.69
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4,4-dimethyl-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoquinolin-7-yl]-6-[3-(fluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridin-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4,4-dimethyl-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoquinolin-7-yl]-6-[3-(fluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridin-1-amine?
The IUPAC name of N-[4,4-dimethyl-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoquinolin-7-yl]-6-[3-(fluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridin-1-amine (CID 71072181) is N-[4,4-dimethyl-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoquinolin-7-yl]-6-[3-(fluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridin-1-amine.
What is the SMILES notation for N-[4,4-dimethyl-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoquinolin-7-yl]-6-[3-(fluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridin-1-amine?
The canonical SMILES for N-[4,4-dimethyl-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoquinolin-7-yl]-6-[3-(fluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridin-1-amine is CC1(C)CN(CCN2CCOCC2)Cc2cc(Nc3nccc4c3CCN(c3ncccc3CF)C4)ccc21.
What is the InChIKey of N-[4,4-dimethyl-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoquinolin-7-yl]-6-[3-(fluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridin-1-amine?
The InChIKey is IXCKDLPOPRLDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39FN6O/c1-31(2)22-37(13-12-36-14-16-39-17-15-36)20-25-18-26(5-6-28(25)31)35-29-27-8-11-38(21-24(27)7-10-33-29)30-23(19-32)4-3-9-34-30/h3-7,9-10,18H,8,11-17,19-22H2,1-2H3,(H,33,35).
What are the key properties of N-[4,4-dimethyl-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoquinolin-7-yl]-6-[3-(fluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridin-1-amine?
N-[4,4-dimethyl-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoquinolin-7-yl]-6-[3-(fluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridin-1-amine has a molecular weight of 530.69 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,4-dimethyl-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoquinolin-7-yl]-6-[3-(fluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridin-1-amine is sourced from PubChem (CID 71072181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).