N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-2-methoxy-4-[[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-[2-[[3-[3-[2-[2-[(3-phenylbenzoyl)amino]phenyl]-6-(pyrrolidin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-7-yl]phenyl]benzoyl]amino]phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]methoxy]benzamide

C85H74N12O6S2 — CID 139341231

IUPACN-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-2-methoxy-4-[[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-[2-[[3-[3-[2-[2-[(3-phenylbenzoyl)amino]phenyl]-6-(pyrrolidin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-7-yl]phenyl]benzoyl]amino]phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]methoxy]benzamide
SMILESCOCCN1CCN(Cc2cnc3sc(-c4ccccc4NC(=O)c4cccc(-c5cccc(-c6c(CN7CCCC7)cnc7sc(-c8ccccc8NC(=O)c8cccc(-c9ccccc9)c8)nc67)c5)c4)nc3c2COc2ccc(C(=O)Nc3ccccc3-c3cn4ccccc4n3)c(OC)c2)CC1
InChIInChI=1S/C85H74N12O6S2/c1-101-44-43-94-39-41-96(42-40-94)51-62-49-86-84-77(69(62)54-103-64-34-35-68(74(48-64)102-2)81(100)91-70-30-9-6-27-65(70)73-53-97-38-13-12-33-75(97)88-73)92-82(104-84)66-28-7-10-31-71(66)89-80(99)61-26-18-23-58(47-61)57-22-16-24-59(45-57)76-63(52-95-36-14-15-37-95)50-87-85-78(76)93-83(105-85)67-29-8-11-32-72(67)90-79(98)60-25-17-21-56(46-60)55-19-4-3-5-20-55/h3-13,16-35,38,45-50,53H,14-15,36-37,39-44,51-52,54H2,1-2H3,(H,89,99)(H,90,98)(H,91,100)
InChIKeyDKNODEAMKGRKQI-UHFFFAOYSA-N
MW1423.74 g/mol
LogP17.05
Rot. Bonds23

About N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-2-methoxy-4-[[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-[2-[[3-[3-[2-[2-[(3-phenylbenzoyl)amino]phenyl]-6-(pyrrolidin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-7-yl]phenyl]benzoyl]amino]phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]methoxy]benzamide

N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-2-methoxy-4-[[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-[2-[[3-[3-[2-[2-[(3-phenylbenzoyl)amino]phenyl]-6-(pyrrolidin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-7-yl]phenyl]benzoyl]amino]phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]methoxy]benzamide (PubChem CID 139341231) has the molecular formula C85H74N12O6S2 and a molecular weight of 1423.74 g/mol. Its IUPAC name is N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-2-methoxy-4-[[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-[2-[[3-[3-[2-[2-[(3-phenylbenzoyl)amino]phenyl]-6-(pyrrolidin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-7-yl]phenyl]benzoyl]amino]phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]methoxy]benzamide.

Molecular Properties

Compound NameN-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-2-methoxy-4-[[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-[2-[[3-[3-[2-[2-[(3-phenylbenzoyl)amino]phenyl]-6-(pyrrolidin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-7-yl]phenyl]benzoyl]amino]phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]methoxy]benzamide
PubChem CID139341231
Molecular FormulaC85H74N12O6S2
Molecular Weight1423.74 g/mol
Exact Mass1422.53
IUPAC NameN-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-2-methoxy-4-[[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-[2-[[3-[3-[2-[2-[(3-phenylbenzoyl)amino]phenyl]-6-(pyrrolidin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-7-yl]phenyl]benzoyl]amino]phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]methoxy]benzamide
SMILESCOCCN1CCN(Cc2cnc3sc(-c4ccccc4NC(=O)c4cccc(-c5cccc(-c6c(CN7CCCC7)cnc7sc(-c8ccccc8NC(=O)c8cccc(-c9ccccc9)c8)nc67)c5)c4)nc3c2COc2ccc(C(=O)Nc3ccccc3-c3cn4ccccc4n3)c(OC)c2)CC1
InChIInChI=1S/C85H74N12O6S2/c1-101-44-43-94-39-41-96(42-40-94)51-62-49-86-84-77(69(62)54-103-64-34-35-68(74(48-64)102-2)81(100)91-70-30-9-6-27-65(70)73-53-97-38-13-12-33-75(97)88-73)92-82(104-84)66-28-7-10-31-71(66)89-80(99)61-26-18-23-58(47-61)57-22-16-24-59(45-57)76-63(52-95-36-14-15-37-95)50-87-85-78(76)93-83(105-85)67-29-8-11-32-72(67)90-79(98)60-25-17-21-56(46-60)55-19-4-3-5-20-55/h3-13,16-35,38,45-50,53H,14-15,36-37,39-44,51-52,54H2,1-2H3,(H,89,99)(H,90,98)(H,91,100)
InChIKeyDKNODEAMKGRKQI-UHFFFAOYSA-N
XLogP17.05
TPSA193.57 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds23
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001423.74
LogP ≤ 517.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Analyze N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-2-methoxy-4-[[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-[2-[[3-[3-[2-[2-[(3-phenylbenzoyl)amino]phenyl]-6-(pyrrolidin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-7-yl]phenyl]benzoyl]amino]phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]methoxy]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-2-methoxy-4-[[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-[2-[[3-[3-[2-[2-[(3-phenylbenzoyl)amino]phenyl]-6-(pyrrolidin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-7-yl]phenyl]benzoyl]amino]phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]methoxy]benzamide?
The IUPAC name of N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-2-methoxy-4-[[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-[2-[[3-[3-[2-[2-[(3-phenylbenzoyl)amino]phenyl]-6-(pyrrolidin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-7-yl]phenyl]benzoyl]amino]phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]methoxy]benzamide (CID 139341231) is N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-2-methoxy-4-[[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-[2-[[3-[3-[2-[2-[(3-phenylbenzoyl)amino]phenyl]-6-(pyrrolidin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-7-yl]phenyl]benzoyl]amino]phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]methoxy]benzamide.
What is the SMILES notation for N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-2-methoxy-4-[[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-[2-[[3-[3-[2-[2-[(3-phenylbenzoyl)amino]phenyl]-6-(pyrrolidin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-7-yl]phenyl]benzoyl]amino]phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]methoxy]benzamide?
The canonical SMILES for N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-2-methoxy-4-[[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-[2-[[3-[3-[2-[2-[(3-phenylbenzoyl)amino]phenyl]-6-(pyrrolidin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-7-yl]phenyl]benzoyl]amino]phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]methoxy]benzamide is COCCN1CCN(Cc2cnc3sc(-c4ccccc4NC(=O)c4cccc(-c5cccc(-c6c(CN7CCCC7)cnc7sc(-c8ccccc8NC(=O)c8cccc(-c9ccccc9)c8)nc67)c5)c4)nc3c2COc2ccc(C(=O)Nc3ccccc3-c3cn4ccccc4n3)c(OC)c2)CC1.
What is the InChIKey of N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-2-methoxy-4-[[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-[2-[[3-[3-[2-[2-[(3-phenylbenzoyl)amino]phenyl]-6-(pyrrolidin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-7-yl]phenyl]benzoyl]amino]phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]methoxy]benzamide?
The InChIKey is DKNODEAMKGRKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H74N12O6S2/c1-101-44-43-94-39-41-96(42-40-94)51-62-49-86-84-77(69(62)54-103-64-34-35-68(74(48-64)102-2)81(100)91-70-30-9-6-27-65(70)73-53-97-38-13-12-33-75(97)88-73)92-82(104-84)66-28-7-10-31-71(66)89-80(99)61-26-18-23-58(47-61)57-22-16-24-59(45-57)76-63(52-95-36-14-15-37-95)50-87-85-78(76)93-83(105-85)67-29-8-11-32-72(67)90-79(98)60-25-17-21-56(46-60)55-19-4-3-5-20-55/h3-13,16-35,38,45-50,53H,14-15,36-37,39-44,51-52,54H2,1-2H3,(H,89,99)(H,90,98)(H,91,100).
What are the key properties of N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-2-methoxy-4-[[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-[2-[[3-[3-[2-[2-[(3-phenylbenzoyl)amino]phenyl]-6-(pyrrolidin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-7-yl]phenyl]benzoyl]amino]phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]methoxy]benzamide?
N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-2-methoxy-4-[[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-[2-[[3-[3-[2-[2-[(3-phenylbenzoyl)amino]phenyl]-6-(pyrrolidin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-7-yl]phenyl]benzoyl]amino]phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]methoxy]benzamide has a molecular weight of 1423.74 g/mol, XLogP of 17.05, 23 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-2-methoxy-4-[[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-[2-[[3-[3-[2-[2-[(3-phenylbenzoyl)amino]phenyl]-6-(pyrrolidin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-7-yl]phenyl]benzoyl]amino]phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]methoxy]benzamide is sourced from PubChem (CID 139341231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).