5-(1-acetylpiperidin-4-yl)-N-[2-chloro-3-[3-chloro-2-[3-fluoro-4-[[2-hydroxyethyl(methyl)amino]methyl]-5-methoxyphenyl]-4-pyridinyl]phenyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

C74H84Cl4F2N14O8 — CID 174174252

IUPAC5-(1-acetylpiperidin-4-yl)-N-[2-chloro-3-[3-chloro-2-[3-fluoro-4-[[2-hydroxyethyl(methyl)amino]methyl]-5-methoxyphenyl]-4-pyridinyl]phenyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
SMILESCOc1cc(-c2nccc(-c3cccc(NC(=O)c4nc5c(n4C)CCN(C4CCN(C(C)=O)CC4)C5)c3Cl)c2Cl)cc(F)c1CN(C)CCO.COc1cc(-c2nccc(-c3cccc(NC(=O)c4nc5c(n4C)CCN(C4CCN(C(C)=O)CC4)C5)c3Cl)c2Cl)cc(F)c1CN(C)CCO
InChIInChI=1S/2C37H42Cl2FN7O4/c2*1-22(49)46-13-9-24(10-14-46)47-15-11-31-30(21-47)42-36(45(31)3)37(50)43-29-7-5-6-25(33(29)38)26-8-12-41-35(34(26)39)23-18-28(40)27(32(19-23)51-4)20-44(2)16-17-48/h2*5-8,12,18-19,24,48H,9-11,13-17,20-21H2,1-4H3,(H,43,50)
InChIKeyBGUHBRGRVLOHST-UHFFFAOYSA-N
MW1477.38 g/mol
LogP11.30
Rot. Bonds20

About 5-(1-acetylpiperidin-4-yl)-N-[2-chloro-3-[3-chloro-2-[3-fluoro-4-[[2-hydroxyethyl(methyl)amino]methyl]-5-methoxyphenyl]-4-pyridinyl]phenyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

5-(1-acetylpiperidin-4-yl)-N-[2-chloro-3-[3-chloro-2-[3-fluoro-4-[[2-hydroxyethyl(methyl)amino]methyl]-5-methoxyphenyl]-4-pyridinyl]phenyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (PubChem CID 174174252) has the molecular formula C74H84Cl4F2N14O8 and a molecular weight of 1477.38 g/mol. Its IUPAC name is 5-(1-acetylpiperidin-4-yl)-N-[2-chloro-3-[3-chloro-2-[3-fluoro-4-[[2-hydroxyethyl(methyl)amino]methyl]-5-methoxyphenyl]-4-pyridinyl]phenyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(1-acetylpiperidin-4-yl)-N-[2-chloro-3-[3-chloro-2-[3-fluoro-4-[[2-hydroxyethyl(methyl)amino]methyl]-5-methoxyphenyl]-4-pyridinyl]phenyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
PubChem CID174174252
Molecular FormulaC74H84Cl4F2N14O8
Molecular Weight1477.38 g/mol
Exact Mass1474.53
IUPAC Name5-(1-acetylpiperidin-4-yl)-N-[2-chloro-3-[3-chloro-2-[3-fluoro-4-[[2-hydroxyethyl(methyl)amino]methyl]-5-methoxyphenyl]-4-pyridinyl]phenyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
SMILESCOc1cc(-c2nccc(-c3cccc(NC(=O)c4nc5c(n4C)CCN(C4CCN(C(C)=O)CC4)C5)c3Cl)c2Cl)cc(F)c1CN(C)CCO.COc1cc(-c2nccc(-c3cccc(NC(=O)c4nc5c(n4C)CCN(C4CCN(C(C)=O)CC4)C5)c3Cl)c2Cl)cc(F)c1CN(C)CCO
InChIInChI=1S/2C37H42Cl2FN7O4/c2*1-22(49)46-13-9-24(10-14-46)47-15-11-31-30(21-47)42-36(45(31)3)37(50)43-29-7-5-6-25(33(29)38)26-8-12-41-35(34(26)39)23-18-28(40)27(32(19-23)51-4)20-44(2)16-17-48/h2*5-8,12,18-19,24,48H,9-11,13-17,20-21H2,1-4H3,(H,43,50)
InChIKeyBGUHBRGRVLOHST-UHFFFAOYSA-N
XLogP11.30
TPSA232.12 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds20
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001477.38
LogP ≤ 511.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Analyze 5-(1-acetylpiperidin-4-yl)-N-[2-chloro-3-[3-chloro-2-[3-fluoro-4-[[2-hydroxyethyl(methyl)amino]methyl]-5-methoxyphenyl]-4-pyridinyl]phenyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(1-acetylpiperidin-4-yl)-N-[2-chloro-3-[3-chloro-2-[3-fluoro-4-[[2-hydroxyethyl(methyl)amino]methyl]-5-methoxyphenyl]-4-pyridinyl]phenyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?
The IUPAC name of 5-(1-acetylpiperidin-4-yl)-N-[2-chloro-3-[3-chloro-2-[3-fluoro-4-[[2-hydroxyethyl(methyl)amino]methyl]-5-methoxyphenyl]-4-pyridinyl]phenyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (CID 174174252) is 5-(1-acetylpiperidin-4-yl)-N-[2-chloro-3-[3-chloro-2-[3-fluoro-4-[[2-hydroxyethyl(methyl)amino]methyl]-5-methoxyphenyl]-4-pyridinyl]phenyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide.
What is the SMILES notation for 5-(1-acetylpiperidin-4-yl)-N-[2-chloro-3-[3-chloro-2-[3-fluoro-4-[[2-hydroxyethyl(methyl)amino]methyl]-5-methoxyphenyl]-4-pyridinyl]phenyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?
The canonical SMILES for 5-(1-acetylpiperidin-4-yl)-N-[2-chloro-3-[3-chloro-2-[3-fluoro-4-[[2-hydroxyethyl(methyl)amino]methyl]-5-methoxyphenyl]-4-pyridinyl]phenyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is COc1cc(-c2nccc(-c3cccc(NC(=O)c4nc5c(n4C)CCN(C4CCN(C(C)=O)CC4)C5)c3Cl)c2Cl)cc(F)c1CN(C)CCO.COc1cc(-c2nccc(-c3cccc(NC(=O)c4nc5c(n4C)CCN(C4CCN(C(C)=O)CC4)C5)c3Cl)c2Cl)cc(F)c1CN(C)CCO.
What is the InChIKey of 5-(1-acetylpiperidin-4-yl)-N-[2-chloro-3-[3-chloro-2-[3-fluoro-4-[[2-hydroxyethyl(methyl)amino]methyl]-5-methoxyphenyl]-4-pyridinyl]phenyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?
The InChIKey is BGUHBRGRVLOHST-UHFFFAOYSA-N. The full InChI is InChI=1S/2C37H42Cl2FN7O4/c2*1-22(49)46-13-9-24(10-14-46)47-15-11-31-30(21-47)42-36(45(31)3)37(50)43-29-7-5-6-25(33(29)38)26-8-12-41-35(34(26)39)23-18-28(40)27(32(19-23)51-4)20-44(2)16-17-48/h2*5-8,12,18-19,24,48H,9-11,13-17,20-21H2,1-4H3,(H,43,50).
What are the key properties of 5-(1-acetylpiperidin-4-yl)-N-[2-chloro-3-[3-chloro-2-[3-fluoro-4-[[2-hydroxyethyl(methyl)amino]methyl]-5-methoxyphenyl]-4-pyridinyl]phenyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?
5-(1-acetylpiperidin-4-yl)-N-[2-chloro-3-[3-chloro-2-[3-fluoro-4-[[2-hydroxyethyl(methyl)amino]methyl]-5-methoxyphenyl]-4-pyridinyl]phenyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide has a molecular weight of 1477.38 g/mol, XLogP of 11.30, 20 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-acetylpiperidin-4-yl)-N-[2-chloro-3-[3-chloro-2-[3-fluoro-4-[[2-hydroxyethyl(methyl)amino]methyl]-5-methoxyphenyl]-4-pyridinyl]phenyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is sourced from PubChem (CID 174174252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).