(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

C34H36Cl2N4O4 — CID 146206925

IUPAC(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
SMILESCOc1nc(-c2cccc(-c3cccc(-c4ccc([C@H](O)[C@@H]5CCCN5)c(OC)n4)c3Cl)c2Cl)ccc1[C@H](O)[C@@H]1CCCN1
InChIInChI=1S/C34H36Cl2N4O4/c1-43-33-23(31(41)27-11-5-17-37-27)13-15-25(39-33)21-9-3-7-19(29(21)35)20-8-4-10-22(30(20)36)26-16-14-24(34(40-26)44-2)32(42)28-12-6-18-38-28/h3-4,7-10,13-16,27-28,31-32,37-38,41-42H,5-6,11-12,17-18H2,1-2H3/t27-,28-,31-,32-/m0/s1
InChIKeySDNBRORECCYKCM-KOUWNTBJSA-N
MW635.59 g/mol
LogP6.37
Rot. Bonds9

About (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

(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 (PubChem CID 146206925) has the molecular formula C34H36Cl2N4O4 and a molecular weight of 635.59 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID146206925
Molecular FormulaC34H36Cl2N4O4
Molecular Weight635.59 g/mol
Exact Mass634.21
IUPAC Name(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
SMILESCOc1nc(-c2cccc(-c3cccc(-c4ccc([C@H](O)[C@@H]5CCCN5)c(OC)n4)c3Cl)c2Cl)ccc1[C@H](O)[C@@H]1CCCN1
InChIInChI=1S/C34H36Cl2N4O4/c1-43-33-23(31(41)27-11-5-17-37-27)13-15-25(39-33)21-9-3-7-19(29(21)35)20-8-4-10-22(30(20)36)26-16-14-24(34(40-26)44-2)32(42)28-12-6-18-38-28/h3-4,7-10,13-16,27-28,31-32,37-38,41-42H,5-6,11-12,17-18H2,1-2H3/t27-,28-,31-,32-/m0/s1
InChIKeySDNBRORECCYKCM-KOUWNTBJSA-N
XLogP6.37
TPSA108.76 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.59
LogP ≤ 56.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze (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 with MolForge

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Launch Full Analysis

Related Compounds

(1S)-1-[6-[2-chloro-3-[2-chloro-3-(6-methoxy-5-pyrrolidin-2-yl-2-pyridinyl)phenyl]phenyl]-2-methoxy-3-pyridinyl]butane-1,4-diamine
CID 166595861
[(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
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
(2-chlorophenyl)-pyrrolidin-2-ylmethanol;propane
CID 142544047
ethane;(4-methoxyphenyl)-pyrrolidin-2-ylmethanol
CID 142507524
(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
(2-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol
CID 164654197
(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
[(1R)-1-[6-(3-bromo-2-chlorophenyl)-2-methoxy-3-pyridinyl]ethyl] N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate
CID 153278525
1-[4-[[6-[3-[3-[5-[(4-acetylpiperazin-1-yl)methyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methyl]piperazin-1-yl]ethanone
CID 146207008
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
6-[[6-[2-chloro-3-[2-chloro-3-[5-(1,6-diazaspiro[3.3]heptan-6-ylmethyl)-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-1,6-diazaspiro[3.3]heptane
CID 146250656

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COc1nc(-c2cccc(-c3cccc(-c4ccc([C@H](O)[C@@H]5CCCN5)c(OC)n4)c3Cl)c2Cl)ccc1[C@H](O)[C@@H]1CCCN1.
What is the InChIKey of (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?
The InChIKey is SDNBRORECCYKCM-KOUWNTBJSA-N. The full InChI is InChI=1S/C34H36Cl2N4O4/c1-43-33-23(31(41)27-11-5-17-37-27)13-15-25(39-33)21-9-3-7-19(29(21)35)20-8-4-10-22(30(20)36)26-16-14-24(34(40-26)44-2)32(42)28-12-6-18-38-28/h3-4,7-10,13-16,27-28,31-32,37-38,41-42H,5-6,11-12,17-18H2,1-2H3/t27-,28-,31-,32-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 635.59 g/mol, XLogP of 6.37, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 146206925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).