1-[4-[[4-[4-[3-[5-[[(1-acetylpiperidin-4-yl)amino]methyl]-6-methoxy-2-pyridinyl]-2-methoxyphenyl]-3-fluoro-2-pyridinyl]-2-methoxyphenyl]methylamino]piperidin-1-yl]ethanone

C41H49FN6O5 — CID 175513059

IUPAC1-[4-[[4-[4-[3-[5-[[(1-acetylpiperidin-4-yl)amino]methyl]-6-methoxy-2-pyridinyl]-2-methoxyphenyl]-3-fluoro-2-pyridinyl]-2-methoxyphenyl]methylamino]piperidin-1-yl]ethanone
SMILESCOc1cc(-c2nccc(-c3cccc(-c4ccc(CNC5CCN(C(C)=O)CC5)c(OC)n4)c3OC)c2F)ccc1CNC1CCN(C(C)=O)CC1
InChIInChI=1S/C41H49FN6O5/c1-26(49)47-19-14-31(15-20-47)44-24-29-10-9-28(23-37(29)51-3)39-38(42)33(13-18-43-39)34-7-6-8-35(40(34)52-4)36-12-11-30(41(46-36)53-5)25-45-32-16-21-48(22-17-32)27(2)50/h6-13,18,23,31-32,44-45H,14-17,19-22,24-25H2,1-5H3
InChIKeySEOYELSTJYOKJV-UHFFFAOYSA-N
MW724.88 g/mol
LogP5.84
Rot. Bonds12

About 1-[4-[[4-[4-[3-[5-[[(1-acetylpiperidin-4-yl)amino]methyl]-6-methoxy-2-pyridinyl]-2-methoxyphenyl]-3-fluoro-2-pyridinyl]-2-methoxyphenyl]methylamino]piperidin-1-yl]ethanone

1-[4-[[4-[4-[3-[5-[[(1-acetylpiperidin-4-yl)amino]methyl]-6-methoxy-2-pyridinyl]-2-methoxyphenyl]-3-fluoro-2-pyridinyl]-2-methoxyphenyl]methylamino]piperidin-1-yl]ethanone (PubChem CID 175513059) has the molecular formula C41H49FN6O5 and a molecular weight of 724.88 g/mol. Its IUPAC name is 1-[4-[[4-[4-[3-[5-[[(1-acetylpiperidin-4-yl)amino]methyl]-6-methoxy-2-pyridinyl]-2-methoxyphenyl]-3-fluoro-2-pyridinyl]-2-methoxyphenyl]methylamino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[4-[4-[3-[5-[[(1-acetylpiperidin-4-yl)amino]methyl]-6-methoxy-2-pyridinyl]-2-methoxyphenyl]-3-fluoro-2-pyridinyl]-2-methoxyphenyl]methylamino]piperidin-1-yl]ethanone
PubChem CID175513059
Molecular FormulaC41H49FN6O5
Molecular Weight724.88 g/mol
Exact Mass724.37
IUPAC Name1-[4-[[4-[4-[3-[5-[[(1-acetylpiperidin-4-yl)amino]methyl]-6-methoxy-2-pyridinyl]-2-methoxyphenyl]-3-fluoro-2-pyridinyl]-2-methoxyphenyl]methylamino]piperidin-1-yl]ethanone
SMILESCOc1cc(-c2nccc(-c3cccc(-c4ccc(CNC5CCN(C(C)=O)CC5)c(OC)n4)c3OC)c2F)ccc1CNC1CCN(C(C)=O)CC1
InChIInChI=1S/C41H49FN6O5/c1-26(49)47-19-14-31(15-20-47)44-24-29-10-9-28(23-37(29)51-3)39-38(42)33(13-18-43-39)34-7-6-8-35(40(34)52-4)36-12-11-30(41(46-36)53-5)25-45-32-16-21-48(22-17-32)27(2)50/h6-13,18,23,31-32,44-45H,14-17,19-22,24-25H2,1-5H3
InChIKeySEOYELSTJYOKJV-UHFFFAOYSA-N
XLogP5.84
TPSA118.15 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.88
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[4-[[4-[4-[3-[5-[[(1-acetylpiperidin-4-yl)amino]methyl]-6-methoxy-2-pyridinyl]-2-methoxyphenyl]-3-fluoro-2-pyridinyl]-2-methoxyphenyl]methylamino]piperidin-1-yl]ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-[4-[3-[5-[[(1-acetylpiperidin-4-yl)amino]methyl]-6-methoxy-2-pyridinyl]-2-methoxyphenyl]-3-fluoro-2-pyridinyl]-2-methoxyphenyl]methylamino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[[4-[4-[3-[5-[[(1-acetylpiperidin-4-yl)amino]methyl]-6-methoxy-2-pyridinyl]-2-methoxyphenyl]-3-fluoro-2-pyridinyl]-2-methoxyphenyl]methylamino]piperidin-1-yl]ethanone (CID 175513059) is 1-[4-[[4-[4-[3-[5-[[(1-acetylpiperidin-4-yl)amino]methyl]-6-methoxy-2-pyridinyl]-2-methoxyphenyl]-3-fluoro-2-pyridinyl]-2-methoxyphenyl]methylamino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[4-[4-[3-[5-[[(1-acetylpiperidin-4-yl)amino]methyl]-6-methoxy-2-pyridinyl]-2-methoxyphenyl]-3-fluoro-2-pyridinyl]-2-methoxyphenyl]methylamino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[4-[4-[3-[5-[[(1-acetylpiperidin-4-yl)amino]methyl]-6-methoxy-2-pyridinyl]-2-methoxyphenyl]-3-fluoro-2-pyridinyl]-2-methoxyphenyl]methylamino]piperidin-1-yl]ethanone is COc1cc(-c2nccc(-c3cccc(-c4ccc(CNC5CCN(C(C)=O)CC5)c(OC)n4)c3OC)c2F)ccc1CNC1CCN(C(C)=O)CC1.
What is the InChIKey of 1-[4-[[4-[4-[3-[5-[[(1-acetylpiperidin-4-yl)amino]methyl]-6-methoxy-2-pyridinyl]-2-methoxyphenyl]-3-fluoro-2-pyridinyl]-2-methoxyphenyl]methylamino]piperidin-1-yl]ethanone?
The InChIKey is SEOYELSTJYOKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H49FN6O5/c1-26(49)47-19-14-31(15-20-47)44-24-29-10-9-28(23-37(29)51-3)39-38(42)33(13-18-43-39)34-7-6-8-35(40(34)52-4)36-12-11-30(41(46-36)53-5)25-45-32-16-21-48(22-17-32)27(2)50/h6-13,18,23,31-32,44-45H,14-17,19-22,24-25H2,1-5H3.
What are the key properties of 1-[4-[[4-[4-[3-[5-[[(1-acetylpiperidin-4-yl)amino]methyl]-6-methoxy-2-pyridinyl]-2-methoxyphenyl]-3-fluoro-2-pyridinyl]-2-methoxyphenyl]methylamino]piperidin-1-yl]ethanone?
1-[4-[[4-[4-[3-[5-[[(1-acetylpiperidin-4-yl)amino]methyl]-6-methoxy-2-pyridinyl]-2-methoxyphenyl]-3-fluoro-2-pyridinyl]-2-methoxyphenyl]methylamino]piperidin-1-yl]ethanone has a molecular weight of 724.88 g/mol, XLogP of 5.84, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-[4-[3-[5-[[(1-acetylpiperidin-4-yl)amino]methyl]-6-methoxy-2-pyridinyl]-2-methoxyphenyl]-3-fluoro-2-pyridinyl]-2-methoxyphenyl]methylamino]piperidin-1-yl]ethanone is sourced from PubChem (CID 175513059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).