[(5S)-2-[6-[2-chloro-3-[2-chloro-3-[5-[(5S)-5-(hydroxymethyl)-4,5-dihydro-1H-imidazol-2-yl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]-4,5-dihydro-1H-imidazol-5-yl]methanol

C32H30Cl2N6O4 — CID 146206993

IUPAC[(5S)-2-[6-[2-chloro-3-[2-chloro-3-[5-[(5S)-5-(hydroxymethyl)-4,5-dihydro-1H-imidazol-2-yl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]-4,5-dihydro-1H-imidazol-5-yl]methanol
SMILESCOc1nc(-c2cccc(-c3cccc(-c4ccc(C5=NC[C@@H](CO)N5)c(OC)n4)c3Cl)c2Cl)ccc1C1=NC[C@@H](CO)N1
InChIInChI=1S/C32H30Cl2N6O4/c1-43-31-23(29-35-13-17(15-41)37-29)9-11-25(39-31)21-7-3-5-19(27(21)33)20-6-4-8-22(28(20)34)26-12-10-24(32(40-26)44-2)30-36-14-18(16-42)38-30/h3-12,17-18,41-42H,13-16H2,1-2H3,(H,35,37)(H,36,38)/t17-,18-/m0/s1
InChIKeyZZNPMZPXIUMWHT-ROUUACIJSA-N
MW633.54 g/mol
LogP4.22
Rot. Bonds9

About [(5S)-2-[6-[2-chloro-3-[2-chloro-3-[5-[(5S)-5-(hydroxymethyl)-4,5-dihydro-1H-imidazol-2-yl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]-4,5-dihydro-1H-imidazol-5-yl]methanol

[(5S)-2-[6-[2-chloro-3-[2-chloro-3-[5-[(5S)-5-(hydroxymethyl)-4,5-dihydro-1H-imidazol-2-yl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]-4,5-dihydro-1H-imidazol-5-yl]methanol (PubChem CID 146206993) has the molecular formula C32H30Cl2N6O4 and a molecular weight of 633.54 g/mol. Its IUPAC name is [(5S)-2-[6-[2-chloro-3-[2-chloro-3-[5-[(5S)-5-(hydroxymethyl)-4,5-dihydro-1H-imidazol-2-yl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]-4,5-dihydro-1H-imidazol-5-yl]methanol.

Molecular Properties

Compound Name[(5S)-2-[6-[2-chloro-3-[2-chloro-3-[5-[(5S)-5-(hydroxymethyl)-4,5-dihydro-1H-imidazol-2-yl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]-4,5-dihydro-1H-imidazol-5-yl]methanol
PubChem CID146206993
Molecular FormulaC32H30Cl2N6O4
Molecular Weight633.54 g/mol
Exact Mass632.17
IUPAC Name[(5S)-2-[6-[2-chloro-3-[2-chloro-3-[5-[(5S)-5-(hydroxymethyl)-4,5-dihydro-1H-imidazol-2-yl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]-4,5-dihydro-1H-imidazol-5-yl]methanol
SMILESCOc1nc(-c2cccc(-c3cccc(-c4ccc(C5=NC[C@@H](CO)N5)c(OC)n4)c3Cl)c2Cl)ccc1C1=NC[C@@H](CO)N1
InChIInChI=1S/C32H30Cl2N6O4/c1-43-31-23(29-35-13-17(15-41)37-29)9-11-25(39-31)21-7-3-5-19(27(21)33)20-6-4-8-22(28(20)34)26-12-10-24(32(40-26)44-2)30-36-14-18(16-42)38-30/h3-12,17-18,41-42H,13-16H2,1-2H3,(H,35,37)(H,36,38)/t17-,18-/m0/s1
InChIKeyZZNPMZPXIUMWHT-ROUUACIJSA-N
XLogP4.22
TPSA133.48 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500633.54
LogP ≤ 54.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze [(5S)-2-[6-[2-chloro-3-[2-chloro-3-[5-[(5S)-5-(hydroxymethyl)-4,5-dihydro-1H-imidazol-2-yl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]-4,5-dihydro-1H-imidazol-5-yl]methanol with MolForge

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Related Compounds

(S)-[6-[2-chloro-3-[2-chloro-3-[5-[(S)-hydroxy-[(2S)-pyrrolidin-2-yl]methyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]-[(2S)-pyrrolidin-2-yl]methanol
CID 146206925
(5S)-5-[[[6-[2-chloro-3-[2-chloro-3-[5-[(2-hydroxyethylamino)methyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one
CID 146206915
(5R)-5-[[[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one
CID 146206736
6-[[[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[(6-oxopiperidin-2-yl)methylamino]methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]piperidin-2-one
CID 146207052
3-chloro-4-[2-chloro-3-[5-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-pyridinyl]phenyl]-2-[4-(4,5-dihydro-1H-imidazol-2-yl)-3-methoxyphenyl]pyridine
CID 170696320
2-[[6-[2-chloro-3-[2-chloro-3-[5-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]-2-methylpropan-1-ol
CID 146207062
N-[[5-[2-chloro-3-[2-chloro-3-[5-[(cyclobutylamino)methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methyl]cyclobutanamine
CID 170231781
(3R,4S)-1-[[5-bromo-6-[[(1S)-4-[2-chloro-3-[6-methoxy-5-[(5S)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]-2-pyridinyl]phenyl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxy-3-pyridinyl]methyl]-3-fluoropiperidin-4-ol
CID 140933862
(5R)-5-[[[6-[3-[2-bromo-3-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one
CID 146206612
5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(3-methoxyazetidin-1-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxy-2-[(3-methoxyazetidin-1-yl)methyl]pyrazine
CID 139429863
(5R)-5-[3-[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(1R)-3-oxocyclopentyl]methylamino]methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]propyl]pyrrolidin-2-one
CID 157125566
tert-butyl N-[[5-[2-chloro-3-[2-chloro-3-(5-formyl-6-methoxy-2-pyridinyl)phenyl]phenyl]-3-methoxypyrazin-2-yl]methyl]-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate
CID 139429805

Frequently Asked Questions

What is the IUPAC name of [(5S)-2-[6-[2-chloro-3-[2-chloro-3-[5-[(5S)-5-(hydroxymethyl)-4,5-dihydro-1H-imidazol-2-yl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]-4,5-dihydro-1H-imidazol-5-yl]methanol?
The IUPAC name of [(5S)-2-[6-[2-chloro-3-[2-chloro-3-[5-[(5S)-5-(hydroxymethyl)-4,5-dihydro-1H-imidazol-2-yl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]-4,5-dihydro-1H-imidazol-5-yl]methanol (CID 146206993) is [(5S)-2-[6-[2-chloro-3-[2-chloro-3-[5-[(5S)-5-(hydroxymethyl)-4,5-dihydro-1H-imidazol-2-yl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]-4,5-dihydro-1H-imidazol-5-yl]methanol.
What is the SMILES notation for [(5S)-2-[6-[2-chloro-3-[2-chloro-3-[5-[(5S)-5-(hydroxymethyl)-4,5-dihydro-1H-imidazol-2-yl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]-4,5-dihydro-1H-imidazol-5-yl]methanol?
The canonical SMILES for [(5S)-2-[6-[2-chloro-3-[2-chloro-3-[5-[(5S)-5-(hydroxymethyl)-4,5-dihydro-1H-imidazol-2-yl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]-4,5-dihydro-1H-imidazol-5-yl]methanol is COc1nc(-c2cccc(-c3cccc(-c4ccc(C5=NC[C@@H](CO)N5)c(OC)n4)c3Cl)c2Cl)ccc1C1=NC[C@@H](CO)N1.
What is the InChIKey of [(5S)-2-[6-[2-chloro-3-[2-chloro-3-[5-[(5S)-5-(hydroxymethyl)-4,5-dihydro-1H-imidazol-2-yl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]-4,5-dihydro-1H-imidazol-5-yl]methanol?
The InChIKey is ZZNPMZPXIUMWHT-ROUUACIJSA-N. The full InChI is InChI=1S/C32H30Cl2N6O4/c1-43-31-23(29-35-13-17(15-41)37-29)9-11-25(39-31)21-7-3-5-19(27(21)33)20-6-4-8-22(28(20)34)26-12-10-24(32(40-26)44-2)30-36-14-18(16-42)38-30/h3-12,17-18,41-42H,13-16H2,1-2H3,(H,35,37)(H,36,38)/t17-,18-/m0/s1.
What are the key properties of [(5S)-2-[6-[2-chloro-3-[2-chloro-3-[5-[(5S)-5-(hydroxymethyl)-4,5-dihydro-1H-imidazol-2-yl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]-4,5-dihydro-1H-imidazol-5-yl]methanol?
[(5S)-2-[6-[2-chloro-3-[2-chloro-3-[5-[(5S)-5-(hydroxymethyl)-4,5-dihydro-1H-imidazol-2-yl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]-4,5-dihydro-1H-imidazol-5-yl]methanol has a molecular weight of 633.54 g/mol, XLogP of 4.22, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-2-[6-[2-chloro-3-[2-chloro-3-[5-[(5S)-5-(hydroxymethyl)-4,5-dihydro-1H-imidazol-2-yl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]-4,5-dihydro-1H-imidazol-5-yl]methanol is sourced from PubChem (CID 146206993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).