N-(5-cyano-4-fluoro-2-pyridinyl)-7-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;deuterium monohydride;2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinoline-3-carbaldehyde;1-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinolin-3-yl]methyl]-4-methylpiperazin-2-one;methane

C57H82FN11O10 — CID 159995025

About N-(5-cyano-4-fluoro-2-pyridinyl)-7-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;deuterium monohydride;2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinoline-3-carbaldehyde;1-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinolin-3-yl]methyl]-4-methylpiperazin-2-one;methane

N-(5-cyano-4-fluoro-2-pyridinyl)-7-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;deuterium monohydride;2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinoline-3-carbaldehyde;1-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinolin-3-yl]methyl]-4-methylpiperazin-2-one;methane (PubChem CID 159995025) has the molecular formula C57H82FN11O10 and a molecular weight of 1101.35 g/mol. Its IUPAC name is N-(5-cyano-4-fluoro-2-pyridinyl)-7-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;deuterium monohydride;2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinoline-3-carbaldehyde;1-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinolin-3-yl]methyl]-4-methylpiperazin-2-one;methane.

Molecular Properties

• Compound Name: N-(5-cyano-4-fluoro-2-pyridinyl)-7-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;deuterium monohydride;2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinoline-3-carbaldehyde;1-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinolin-3-yl]methyl]-4-methylpiperazin-2-one;methane
• PubChem CID: 159995025
• Molecular Formula: C57H82FN11O10
• Molecular Weight: 1101.35 g/mol
• Exact Mass: 1100.63
• IUPAC Name: N-(5-cyano-4-fluoro-2-pyridinyl)-7-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;deuterium monohydride;2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinoline-3-carbaldehyde;1-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinolin-3-yl]methyl]-4-methylpiperazin-2-one;methane
• SMILES: C.C.COC(OC)c1nc2c(cc1C=O)CCCC2.COC(OC)c1nc2c(cc1CN1CCN(C)CC1=O)CCCC2.COC(OC)c1nc2c(cc1CN1CCN(C)CC1=O)CCCN2C(=O)Nc1cc(F)c(C#N)cn1.[H][2H]
• InChI: InChI=1S/C24H28FN7O4.C18H27N3O3.C13H17NO3.2CH4.H2/c1-30-7-8-31(20(33)14-30)13-16-9-15-5-4-6-32(22(15)29-21(16)23(35-2)36-3)24(34)28-19-10-18(25)17(11-26)12-27-19;1-20-8-9-21(16(22)12-20)11-14-10-13-6-4-5-7-15(13)19-17(14)18(23-2)24-3;1-16-13(17-2)12-10(8-15)7-9-5-3-4-6-11(9)14-12;;;/h9-10,12,23H,4-8,13-14H2,1-3H3,(H,27,28,34);10,18H,4-9,11-12H2,1-3H3;7-8,13H,3-6H2,1-2H3;2*1H4;1H/i;;;;;1+1
• InChIKey: OHKXJATVMSMFGP-PUQAOBSFSA-N
• XLogP: 7.15
• TPSA: 227.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 15
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1101.35
LogP ≤ 5	7.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-4-fluoro-2-pyridinyl)-7-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;deuterium monohydride;2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinoline-3-carbaldehyde;1-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinolin-3-yl]methyl]-4-methylpiperazin-2-one;methane?

The IUPAC name of N-(5-cyano-4-fluoro-2-pyridinyl)-7-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;deuterium monohydride;2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinoline-3-carbaldehyde;1-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinolin-3-yl]methyl]-4-methylpiperazin-2-one;methane (CID 159995025) is N-(5-cyano-4-fluoro-2-pyridinyl)-7-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;deuterium monohydride;2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinoline-3-carbaldehyde;1-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinolin-3-yl]methyl]-4-methylpiperazin-2-one;methane.

What is the SMILES notation for N-(5-cyano-4-fluoro-2-pyridinyl)-7-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;deuterium monohydride;2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinoline-3-carbaldehyde;1-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinolin-3-yl]methyl]-4-methylpiperazin-2-one;methane?

The canonical SMILES for N-(5-cyano-4-fluoro-2-pyridinyl)-7-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;deuterium monohydride;2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinoline-3-carbaldehyde;1-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinolin-3-yl]methyl]-4-methylpiperazin-2-one;methane is C.C.COC(OC)c1nc2c(cc1C=O)CCCC2.COC(OC)c1nc2c(cc1CN1CCN(C)CC1=O)CCCC2.COC(OC)c1nc2c(cc1CN1CCN(C)CC1=O)CCCN2C(=O)Nc1cc(F)c(C#N)cn1.[H][2H].

What is the InChIKey of N-(5-cyano-4-fluoro-2-pyridinyl)-7-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;deuterium monohydride;2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinoline-3-carbaldehyde;1-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinolin-3-yl]methyl]-4-methylpiperazin-2-one;methane?

The InChIKey is OHKXJATVMSMFGP-PUQAOBSFSA-N. The full InChI is InChI=1S/C24H28FN7O4.C18H27N3O3.C13H17NO3.2CH4.H2/c1-30-7-8-31(20(33)14-30)13-16-9-15-5-4-6-32(22(15)29-21(16)23(35-2)36-3)24(34)28-19-10-18(25)17(11-26)12-27-19;1-20-8-9-21(16(22)12-20)11-14-10-13-6-4-5-7-15(13)19-17(14)18(23-2)24-3;1-16-13(17-2)12-10(8-15)7-9-5-3-4-6-11(9)14-12;;;/h9-10,12,23H,4-8,13-14H2,1-3H3,(H,27,28,34);10,18H,4-9,11-12H2,1-3H3;7-8,13H,3-6H2,1-2H3;2*1H4;1H/i;;;;;1+1.

What are the key properties of N-(5-cyano-4-fluoro-2-pyridinyl)-7-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;deuterium monohydride;2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinoline-3-carbaldehyde;1-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinolin-3-yl]methyl]-4-methylpiperazin-2-one;methane?

N-(5-cyano-4-fluoro-2-pyridinyl)-7-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;deuterium monohydride;2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinoline-3-carbaldehyde;1-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinolin-3-yl]methyl]-4-methylpiperazin-2-one;methane has a molecular weight of 1101.35 g/mol, XLogP of 7.15, 15 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-cyano-4-fluoro-2-pyridinyl)-7-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;deuterium monohydride;2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinoline-3-carbaldehyde;1-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydroquinolin-3-yl]methyl]-4-methylpiperazin-2-one;methane is sourced from PubChem (CID 159995025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).