N-[3-[3-(8-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)phenoxy]phenyl]sulfanyl-1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine

C38H36ClN3O3S — CID 143830720

IUPACN-[3-[3-(8-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)phenoxy]phenyl]sulfanyl-1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)Sc2cccc(Oc3cccc(-c4c(C(C)C)nc5c(Cl)cccn45)c3)c2)cc1
InChIInChI=1S/C38H36ClN3O3S/c1-26(2)36-37(42-21-7-12-35(39)38(42)40-36)29-8-5-9-32(22-29)45-33-10-6-11-34(23-33)46-41(24-27-13-17-30(43-3)18-14-27)25-28-15-19-31(44-4)20-16-28/h5-23,26H,24-25H2,1-4H3
InChIKeyVRFMQIISSILHHK-UHFFFAOYSA-N
MW650.24 g/mol
LogP10.30
Rot. Bonds12

About N-[3-[3-(8-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)phenoxy]phenyl]sulfanyl-1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine

N-[3-[3-(8-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)phenoxy]phenyl]sulfanyl-1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine (PubChem CID 143830720) has the molecular formula C38H36ClN3O3S and a molecular weight of 650.24 g/mol. Its IUPAC name is N-[3-[3-(8-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)phenoxy]phenyl]sulfanyl-1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine.

Molecular Properties

Compound NameN-[3-[3-(8-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)phenoxy]phenyl]sulfanyl-1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine
PubChem CID143830720
Molecular FormulaC38H36ClN3O3S
Molecular Weight650.24 g/mol
Exact Mass649.22
IUPAC NameN-[3-[3-(8-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)phenoxy]phenyl]sulfanyl-1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)Sc2cccc(Oc3cccc(-c4c(C(C)C)nc5c(Cl)cccn45)c3)c2)cc1
InChIInChI=1S/C38H36ClN3O3S/c1-26(2)36-37(42-21-7-12-35(39)38(42)40-36)29-8-5-9-32(22-29)45-33-10-6-11-34(23-33)46-41(24-27-13-17-30(43-3)18-14-27)25-28-15-19-31(44-4)20-16-28/h5-23,26H,24-25H2,1-4H3
InChIKeyVRFMQIISSILHHK-UHFFFAOYSA-N
XLogP10.30
TPSA48.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.24
LogP ≤ 510.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[3-[3-(8-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)phenoxy]phenyl]sulfanyl-1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine with MolForge

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Related Compounds

8-chloro-3-[4-(3-ethylsulfonylphenoxy)phenyl]-2-propan-2-ylimidazo[1,2-a]pyridine
CID 58259603
8-chloro-2-ethyl-3-[3-(3-ethylsulfanylphenoxy)phenyl]imidazo[1,2-a]pyridine
CID 143830717
ethane;1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-N-[3-[3-[3-methyl-8-(trifluoromethyl)quinolin-4-yl]phenoxy]phenyl]sulfanylmethanamine
CID 143659829
8-chloro-3-(4-methoxyphenyl)-2-methylimidazo[1,2-a]pyridine
CID 103095082
1-[8-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-yn-1-one
CID 11232161
2-chloro-3-(3-methoxyphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 67201173
2-[8-chloro-3-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]ethanamine
CID 82529731
N-(3,4-dimethylphenyl)sulfanyl-1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine
CID 167163492
[8-chloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methanol
CID 82529532
8-chloro-2-ethyl-3-[4-(3-ethylsulfonylphenoxy)phenyl]imidazo[1,2-a]pyridine
CID 58259601
N-[4-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)furan-2-yl]-5-methoxypyridin-2-amine
CID 145386228
4-[8-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine
CID 10180400

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(8-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)phenoxy]phenyl]sulfanyl-1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine?
The IUPAC name of N-[3-[3-(8-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)phenoxy]phenyl]sulfanyl-1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine (CID 143830720) is N-[3-[3-(8-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)phenoxy]phenyl]sulfanyl-1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine.
What is the SMILES notation for N-[3-[3-(8-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)phenoxy]phenyl]sulfanyl-1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine?
The canonical SMILES for N-[3-[3-(8-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)phenoxy]phenyl]sulfanyl-1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine is COc1ccc(CN(Cc2ccc(OC)cc2)Sc2cccc(Oc3cccc(-c4c(C(C)C)nc5c(Cl)cccn45)c3)c2)cc1.
What is the InChIKey of N-[3-[3-(8-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)phenoxy]phenyl]sulfanyl-1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine?
The InChIKey is VRFMQIISSILHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H36ClN3O3S/c1-26(2)36-37(42-21-7-12-35(39)38(42)40-36)29-8-5-9-32(22-29)45-33-10-6-11-34(23-33)46-41(24-27-13-17-30(43-3)18-14-27)25-28-15-19-31(44-4)20-16-28/h5-23,26H,24-25H2,1-4H3.
What are the key properties of N-[3-[3-(8-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)phenoxy]phenyl]sulfanyl-1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine?
N-[3-[3-(8-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)phenoxy]phenyl]sulfanyl-1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine has a molecular weight of 650.24 g/mol, XLogP of 10.30, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(8-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)phenoxy]phenyl]sulfanyl-1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine is sourced from PubChem (CID 143830720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).