7-fluoro-1-methyl-8-[[4-[[3-(methylamino)-4-propan-2-ylphenyl]methylamino]cyclohexyl]methoxy]-1,5-naphthyridin-2-one

C27H35FN4O2 — CID 143979644

IUPAC7-fluoro-1-methyl-8-[[4-[[3-(methylamino)-4-propan-2-ylphenyl]methylamino]cyclohexyl]methoxy]-1,5-naphthyridin-2-one
SMILESCNc1cc(CNC2CCC(COc3c(F)cnc4ccc(=O)n(C)c34)CC2)ccc1C(C)C
InChIInChI=1S/C27H35FN4O2/c1-17(2)21-10-7-19(13-24(21)29-3)14-30-20-8-5-18(6-9-20)16-34-27-22(28)15-31-23-11-12-25(33)32(4)26(23)27/h7,10-13,15,17-18,20,29-30H,5-6,8-9,14,16H2,1-4H3
InChIKeyRDOUMVLBNYAMLN-UHFFFAOYSA-N
MW466.60 g/mol
LogP4.97
Rot. Bonds8

About 7-fluoro-1-methyl-8-[[4-[[3-(methylamino)-4-propan-2-ylphenyl]methylamino]cyclohexyl]methoxy]-1,5-naphthyridin-2-one

7-fluoro-1-methyl-8-[[4-[[3-(methylamino)-4-propan-2-ylphenyl]methylamino]cyclohexyl]methoxy]-1,5-naphthyridin-2-one (PubChem CID 143979644) has the molecular formula C27H35FN4O2 and a molecular weight of 466.60 g/mol. Its IUPAC name is 7-fluoro-1-methyl-8-[[4-[[3-(methylamino)-4-propan-2-ylphenyl]methylamino]cyclohexyl]methoxy]-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name7-fluoro-1-methyl-8-[[4-[[3-(methylamino)-4-propan-2-ylphenyl]methylamino]cyclohexyl]methoxy]-1,5-naphthyridin-2-one
PubChem CID143979644
Molecular FormulaC27H35FN4O2
Molecular Weight466.60 g/mol
Exact Mass466.27
IUPAC Name7-fluoro-1-methyl-8-[[4-[[3-(methylamino)-4-propan-2-ylphenyl]methylamino]cyclohexyl]methoxy]-1,5-naphthyridin-2-one
SMILESCNc1cc(CNC2CCC(COc3c(F)cnc4ccc(=O)n(C)c34)CC2)ccc1C(C)C
InChIInChI=1S/C27H35FN4O2/c1-17(2)21-10-7-19(13-24(21)29-3)14-30-20-8-5-18(6-9-20)16-34-27-22(28)15-31-23-11-12-25(33)32(4)26(23)27/h7,10-13,15,17-18,20,29-30H,5-6,8-9,14,16H2,1-4H3
InChIKeyRDOUMVLBNYAMLN-UHFFFAOYSA-N
XLogP4.97
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.60
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-fluoro-1-methyl-8-[[4-[[3-(methylamino)-4-propan-2-ylphenyl]methylamino]cyclohexyl]methoxy]-1,5-naphthyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-fluoro-1-methyl-8-[[4-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-2-yl)methylamino]cyclohexyl]methoxy]-1,5-naphthyridin-2-one;hydrochloride
CID 45377808
1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N-methylmethanamine
CID 142360414
2-[[[4-[(5-methyl-6-oxo-1,5-naphthyridin-4-yl)oxymethyl]cyclohexyl]amino]methyl]-8H-pyrimido[5,4-b][1,4]oxazin-7-one
CID 45378113
2-fluoro-5-[[[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]benzonitrile
CID 68735240
1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one
CID 162093897
N-[[3-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]cyclopropanamine
CID 43560119
3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]methyl]-5-fluoro-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one
CID 74340551
8-(2-cyclohexylethyl)-7-fluoro-1-methyl-1,5-naphthyridin-2-one
CID 70901480
1-[2-[4-[(4-amino-3-fluorophenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one
CID 143586098
N-[(4-methyl-3-propan-2-ylphenyl)methyl]cyclopropanamine
CID 105408787
N-[(3-methylquinolin-6-yl)methyl]cyclopropanamine
CID 116997781
6-[[[1-[[(3R)-5-fluoro-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl]methyl]piperidin-4-yl]amino]methyl]-4H-1,4-benzoxazin-3-one;dihydrochloride
CID 143565391

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-methyl-8-[[4-[[3-(methylamino)-4-propan-2-ylphenyl]methylamino]cyclohexyl]methoxy]-1,5-naphthyridin-2-one?
The IUPAC name of 7-fluoro-1-methyl-8-[[4-[[3-(methylamino)-4-propan-2-ylphenyl]methylamino]cyclohexyl]methoxy]-1,5-naphthyridin-2-one (CID 143979644) is 7-fluoro-1-methyl-8-[[4-[[3-(methylamino)-4-propan-2-ylphenyl]methylamino]cyclohexyl]methoxy]-1,5-naphthyridin-2-one.
What is the SMILES notation for 7-fluoro-1-methyl-8-[[4-[[3-(methylamino)-4-propan-2-ylphenyl]methylamino]cyclohexyl]methoxy]-1,5-naphthyridin-2-one?
The canonical SMILES for 7-fluoro-1-methyl-8-[[4-[[3-(methylamino)-4-propan-2-ylphenyl]methylamino]cyclohexyl]methoxy]-1,5-naphthyridin-2-one is CNc1cc(CNC2CCC(COc3c(F)cnc4ccc(=O)n(C)c34)CC2)ccc1C(C)C.
What is the InChIKey of 7-fluoro-1-methyl-8-[[4-[[3-(methylamino)-4-propan-2-ylphenyl]methylamino]cyclohexyl]methoxy]-1,5-naphthyridin-2-one?
The InChIKey is RDOUMVLBNYAMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35FN4O2/c1-17(2)21-10-7-19(13-24(21)29-3)14-30-20-8-5-18(6-9-20)16-34-27-22(28)15-31-23-11-12-25(33)32(4)26(23)27/h7,10-13,15,17-18,20,29-30H,5-6,8-9,14,16H2,1-4H3.
What are the key properties of 7-fluoro-1-methyl-8-[[4-[[3-(methylamino)-4-propan-2-ylphenyl]methylamino]cyclohexyl]methoxy]-1,5-naphthyridin-2-one?
7-fluoro-1-methyl-8-[[4-[[3-(methylamino)-4-propan-2-ylphenyl]methylamino]cyclohexyl]methoxy]-1,5-naphthyridin-2-one has a molecular weight of 466.60 g/mol, XLogP of 4.97, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-methyl-8-[[4-[[3-(methylamino)-4-propan-2-ylphenyl]methylamino]cyclohexyl]methoxy]-1,5-naphthyridin-2-one is sourced from PubChem (CID 143979644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).