4-[[6-[2-chloro-3-[1-[5-[[cyclohexyl(methyl)amino]methyl]-4,6-dimethoxy-2-pyridinyl]indazol-4-yl]phenyl]-2-methoxy-3-pyridinyl]methyl-methylamino]oxan-3-ol

C41H49ClN6O5 — CID 170645343

IUPAC4-[[6-[2-chloro-3-[1-[5-[[cyclohexyl(methyl)amino]methyl]-4,6-dimethoxy-2-pyridinyl]indazol-4-yl]phenyl]-2-methoxy-3-pyridinyl]methyl-methylamino]oxan-3-ol
SMILESCOc1cc(-n2ncc3c(-c4cccc(-c5ccc(CN(C)C6CCOCC6O)c(OC)n5)c4Cl)cccc32)nc(OC)c1CN(C)C1CCCCC1
InChIInChI=1S/C41H49ClN6O5/c1-46(27-11-7-6-8-12-27)24-32-37(50-3)21-38(45-41(32)52-5)48-34-16-10-13-28(31(34)22-43-48)29-14-9-15-30(39(29)42)33-18-17-26(40(44-33)51-4)23-47(2)35-19-20-53-25-36(35)49/h9-10,13-18,21-22,27,35-36,49H,6-8,11-12,19-20,23-25H2,1-5H3
InChIKeyCKZVMZMQMMLFOJ-UHFFFAOYSA-N
MW741.33 g/mol
LogP7.17
Rot. Bonds12

About 4-[[6-[2-chloro-3-[1-[5-[[cyclohexyl(methyl)amino]methyl]-4,6-dimethoxy-2-pyridinyl]indazol-4-yl]phenyl]-2-methoxy-3-pyridinyl]methyl-methylamino]oxan-3-ol

4-[[6-[2-chloro-3-[1-[5-[[cyclohexyl(methyl)amino]methyl]-4,6-dimethoxy-2-pyridinyl]indazol-4-yl]phenyl]-2-methoxy-3-pyridinyl]methyl-methylamino]oxan-3-ol (PubChem CID 170645343) has the molecular formula C41H49ClN6O5 and a molecular weight of 741.33 g/mol. Its IUPAC name is 4-[[6-[2-chloro-3-[1-[5-[[cyclohexyl(methyl)amino]methyl]-4,6-dimethoxy-2-pyridinyl]indazol-4-yl]phenyl]-2-methoxy-3-pyridinyl]methyl-methylamino]oxan-3-ol.

Molecular Properties

Compound Name4-[[6-[2-chloro-3-[1-[5-[[cyclohexyl(methyl)amino]methyl]-4,6-dimethoxy-2-pyridinyl]indazol-4-yl]phenyl]-2-methoxy-3-pyridinyl]methyl-methylamino]oxan-3-ol
PubChem CID170645343
Molecular FormulaC41H49ClN6O5
Molecular Weight741.33 g/mol
Exact Mass740.35
IUPAC Name4-[[6-[2-chloro-3-[1-[5-[[cyclohexyl(methyl)amino]methyl]-4,6-dimethoxy-2-pyridinyl]indazol-4-yl]phenyl]-2-methoxy-3-pyridinyl]methyl-methylamino]oxan-3-ol
SMILESCOc1cc(-n2ncc3c(-c4cccc(-c5ccc(CN(C)C6CCOCC6O)c(OC)n5)c4Cl)cccc32)nc(OC)c1CN(C)C1CCCCC1
InChIInChI=1S/C41H49ClN6O5/c1-46(27-11-7-6-8-12-27)24-32-37(50-3)21-38(45-41(32)52-5)48-34-16-10-13-28(31(34)22-43-48)29-14-9-15-30(39(29)42)33-18-17-26(40(44-33)51-4)23-47(2)35-19-20-53-25-36(35)49/h9-10,13-18,21-22,27,35-36,49H,6-8,11-12,19-20,23-25H2,1-5H3
InChIKeyCKZVMZMQMMLFOJ-UHFFFAOYSA-N
XLogP7.17
TPSA107.23 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500741.33
LogP ≤ 57.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 4-[[6-[2-chloro-3-[1-[5-[[cyclohexyl(methyl)amino]methyl]-4,6-dimethoxy-2-pyridinyl]indazol-4-yl]phenyl]-2-methoxy-3-pyridinyl]methyl-methylamino]oxan-3-ol with MolForge

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Launch Full Analysis

Related Compounds

4-[[6-[2-chloro-3-[1-[5-[[[(3R,4R)-3-hydroxyoxan-4-yl]-methylamino]methyl]-4,6-dimethoxy-2-pyridinyl]indazol-4-yl]phenyl]-4-fluoro-2-methoxy-3-pyridinyl]methyl-methylamino]cyclohexane-1-carboxylic acid
CID 170645316
2-[4-[[4-[2-chloro-3-[1-[4-[[[(3R,4S)-3-hydroxyoxan-4-yl]-methylamino]methyl]-3,5-dimethoxyphenyl]indazol-4-yl]phenyl]-2-fluoro-6-methoxyphenyl]methyl-methylamino]cyclohexyl]acetic acid
CID 170645470
2-[1-[[6-[2-chloro-3-[1-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-4,6-dimethoxy-2-pyridinyl]indazol-4-yl]phenyl]-2-methoxy-3-pyridinyl]methyl]piperidin-4-yl]acetic acid
CID 170645257
2-[[6-[2-chloro-3-[1-[4-[(2-hydroxyethylamino)methyl]-3,5-dimethoxyphenyl]indazol-4-yl]phenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol
CID 164566332
1-[[6-[2-chloro-3-[1-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-4,6-dimethoxy-2-pyridinyl]indazol-4-yl]phenyl]-2-methoxy-4-methyl-3-pyridinyl]methyl]piperidine-4-carboxylic acid
CID 170645507
(5S)-5-[[[4-[4-[2-chloro-3-[5-[[(3-hydroxycyclobutyl)amino]methyl]-6-methoxy-2-pyridinyl]phenyl]indazol-1-yl]-2,6-dimethoxyphenyl]methylamino]methyl]pyrrolidin-2-one
CID 177379898
[6-[2-chloro-3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl-(oxan-4-yl)carbamic acid
CID 174187815
4-[[4-[2-chloro-3-[1-(4-formyl-3,5-dimethoxyphenyl)indazol-4-yl]phenyl]-2-fluoro-6-methoxyphenyl]methyl-methylamino]cyclohexane-1-carboxylic acid
CID 170645511
(3R)-1-[[6-[2-chloro-3-[1-[3,5-dimethoxy-4-[(6-oxo-2,7-diazaspiro[3.4]octan-2-yl)methyl]phenyl]indazol-4-yl]phenyl]-2-methoxy-3-pyridinyl]methyl]pyrrolidine-3-carboxylic acid
CID 164566473
5-[3-[2-chloro-3-[5-[[[(3R,4R)-3-hydroxyoxan-4-yl]amino]methyl]-6-methoxy-2-pyridinyl]phenyl]-2-methylanilino]-3-methyl-7-(trifluoromethyl)pyrido[3,4-d]pyridazin-4-one
CID 177215021
5-[2-chloro-3-[2-chloro-3-[5-[[[(3S,4R)-3-hydroxyoxan-4-yl]amino]methyl]-6-methoxy-2-pyridinyl]phenyl]anilino]-1,3-dimethylpyrido[4,3-d]pyrimidine-2,4-dione
CID 177215213
1-[[6-[2-chloro-3-[1-[3,5-dimethoxy-4-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]phenyl]indazol-4-yl]phenyl]-2-methoxy-3-pyridinyl]methyl]-N-cyclopropyl-3-methylazetidine-3-carboxamide
CID 164566356

Frequently Asked Questions

What is the IUPAC name of 4-[[6-[2-chloro-3-[1-[5-[[cyclohexyl(methyl)amino]methyl]-4,6-dimethoxy-2-pyridinyl]indazol-4-yl]phenyl]-2-methoxy-3-pyridinyl]methyl-methylamino]oxan-3-ol?
The IUPAC name of 4-[[6-[2-chloro-3-[1-[5-[[cyclohexyl(methyl)amino]methyl]-4,6-dimethoxy-2-pyridinyl]indazol-4-yl]phenyl]-2-methoxy-3-pyridinyl]methyl-methylamino]oxan-3-ol (CID 170645343) is 4-[[6-[2-chloro-3-[1-[5-[[cyclohexyl(methyl)amino]methyl]-4,6-dimethoxy-2-pyridinyl]indazol-4-yl]phenyl]-2-methoxy-3-pyridinyl]methyl-methylamino]oxan-3-ol.
What is the SMILES notation for 4-[[6-[2-chloro-3-[1-[5-[[cyclohexyl(methyl)amino]methyl]-4,6-dimethoxy-2-pyridinyl]indazol-4-yl]phenyl]-2-methoxy-3-pyridinyl]methyl-methylamino]oxan-3-ol?
The canonical SMILES for 4-[[6-[2-chloro-3-[1-[5-[[cyclohexyl(methyl)amino]methyl]-4,6-dimethoxy-2-pyridinyl]indazol-4-yl]phenyl]-2-methoxy-3-pyridinyl]methyl-methylamino]oxan-3-ol is COc1cc(-n2ncc3c(-c4cccc(-c5ccc(CN(C)C6CCOCC6O)c(OC)n5)c4Cl)cccc32)nc(OC)c1CN(C)C1CCCCC1.
What is the InChIKey of 4-[[6-[2-chloro-3-[1-[5-[[cyclohexyl(methyl)amino]methyl]-4,6-dimethoxy-2-pyridinyl]indazol-4-yl]phenyl]-2-methoxy-3-pyridinyl]methyl-methylamino]oxan-3-ol?
The InChIKey is CKZVMZMQMMLFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H49ClN6O5/c1-46(27-11-7-6-8-12-27)24-32-37(50-3)21-38(45-41(32)52-5)48-34-16-10-13-28(31(34)22-43-48)29-14-9-15-30(39(29)42)33-18-17-26(40(44-33)51-4)23-47(2)35-19-20-53-25-36(35)49/h9-10,13-18,21-22,27,35-36,49H,6-8,11-12,19-20,23-25H2,1-5H3.
What are the key properties of 4-[[6-[2-chloro-3-[1-[5-[[cyclohexyl(methyl)amino]methyl]-4,6-dimethoxy-2-pyridinyl]indazol-4-yl]phenyl]-2-methoxy-3-pyridinyl]methyl-methylamino]oxan-3-ol?
4-[[6-[2-chloro-3-[1-[5-[[cyclohexyl(methyl)amino]methyl]-4,6-dimethoxy-2-pyridinyl]indazol-4-yl]phenyl]-2-methoxy-3-pyridinyl]methyl-methylamino]oxan-3-ol has a molecular weight of 741.33 g/mol, XLogP of 7.17, 12 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[2-chloro-3-[1-[5-[[cyclohexyl(methyl)amino]methyl]-4,6-dimethoxy-2-pyridinyl]indazol-4-yl]phenyl]-2-methoxy-3-pyridinyl]methyl-methylamino]oxan-3-ol is sourced from PubChem (CID 170645343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).