N-(1-acetylpyrrolidin-3-yl)-4-amino-3-[3-methoxy-4-[(1-methylindole-2-carbonyl)amino]phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-3-[3-methoxy-4-[(1-methylindole-2-carbonyl)amino]phenyl]-N-pyrrolidin-3-ylthieno[3,2-c]pyridine-7-carboxamide

C60H58N12O7S2 — CID 87933622

IUPACN-(1-acetylpyrrolidin-3-yl)-4-amino-3-[3-methoxy-4-[(1-methylindole-2-carbonyl)amino]phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-3-[3-methoxy-4-[(1-methylindole-2-carbonyl)amino]phenyl]-N-pyrrolidin-3-ylthieno[3,2-c]pyridine-7-carboxamide
SMILESCOc1cc(-c2csc3c(C(=O)NC4CCN(C(C)=O)C4)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C.COc1cc(-c2csc3c(C(=O)NC4CCNC4)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C
InChIInChI=1S/C31H30N6O4S.C29H28N6O3S/c1-17(38)37-11-10-20(15-37)34-30(39)21-14-33-29(32)27-22(16-42-28(21)27)18-8-9-23(26(13-18)41-3)35-31(40)25-12-19-6-4-5-7-24(19)36(25)2;1-35-22-6-4-3-5-17(22)11-23(35)29(37)34-21-8-7-16(12-24(21)38-2)20-15-39-26-19(14-32-27(30)25(20)26)28(36)33-18-9-10-31-13-18/h4-9,12-14,16,20H,10-11,15H2,1-3H3,(H2,32,33)(H,34,39)(H,35,40);3-8,11-12,14-15,18,31H,9-10,13H2,1-2H3,(H2,30,32)(H,33,36)(H,34,37)
InChIKeyCNQMNDZIFGNQEP-UHFFFAOYSA-N
MW1123.33 g/mol
LogP9.04
Rot. Bonds12

About N-(1-acetylpyrrolidin-3-yl)-4-amino-3-[3-methoxy-4-[(1-methylindole-2-carbonyl)amino]phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-3-[3-methoxy-4-[(1-methylindole-2-carbonyl)amino]phenyl]-N-pyrrolidin-3-ylthieno[3,2-c]pyridine-7-carboxamide

N-(1-acetylpyrrolidin-3-yl)-4-amino-3-[3-methoxy-4-[(1-methylindole-2-carbonyl)amino]phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-3-[3-methoxy-4-[(1-methylindole-2-carbonyl)amino]phenyl]-N-pyrrolidin-3-ylthieno[3,2-c]pyridine-7-carboxamide (PubChem CID 87933622) has the molecular formula C60H58N12O7S2 and a molecular weight of 1123.33 g/mol. Its IUPAC name is N-(1-acetylpyrrolidin-3-yl)-4-amino-3-[3-methoxy-4-[(1-methylindole-2-carbonyl)amino]phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-3-[3-methoxy-4-[(1-methylindole-2-carbonyl)amino]phenyl]-N-pyrrolidin-3-ylthieno[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-(1-acetylpyrrolidin-3-yl)-4-amino-3-[3-methoxy-4-[(1-methylindole-2-carbonyl)amino]phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-3-[3-methoxy-4-[(1-methylindole-2-carbonyl)amino]phenyl]-N-pyrrolidin-3-ylthieno[3,2-c]pyridine-7-carboxamide
PubChem CID87933622
Molecular FormulaC60H58N12O7S2
Molecular Weight1123.33 g/mol
Exact Mass1122.40
IUPAC NameN-(1-acetylpyrrolidin-3-yl)-4-amino-3-[3-methoxy-4-[(1-methylindole-2-carbonyl)amino]phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-3-[3-methoxy-4-[(1-methylindole-2-carbonyl)amino]phenyl]-N-pyrrolidin-3-ylthieno[3,2-c]pyridine-7-carboxamide
SMILESCOc1cc(-c2csc3c(C(=O)NC4CCN(C(C)=O)C4)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C.COc1cc(-c2csc3c(C(=O)NC4CCNC4)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C
InChIInChI=1S/C31H30N6O4S.C29H28N6O3S/c1-17(38)37-11-10-20(15-37)34-30(39)21-14-33-29(32)27-22(16-42-28(21)27)18-8-9-23(26(13-18)41-3)35-31(40)25-12-19-6-4-5-7-24(19)36(25)2;1-35-22-6-4-3-5-17(22)11-23(35)29(37)34-21-8-7-16(12-24(21)38-2)20-15-39-26-19(14-32-27(30)25(20)26)28(36)33-18-9-10-31-13-18/h4-9,12-14,16,20H,10-11,15H2,1-3H3,(H2,32,33)(H,34,39)(H,35,40);3-8,11-12,14-15,18,31H,9-10,13H2,1-2H3,(H2,30,32)(H,33,36)(H,34,37)
InChIKeyCNQMNDZIFGNQEP-UHFFFAOYSA-N
XLogP9.04
TPSA254.88 Ų
H-Bond Donors7
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms81
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001123.33
LogP ≤ 59.04
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1016

Analyze N-(1-acetylpyrrolidin-3-yl)-4-amino-3-[3-methoxy-4-[(1-methylindole-2-carbonyl)amino]phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-3-[3-methoxy-4-[(1-methylindole-2-carbonyl)amino]phenyl]-N-pyrrolidin-3-ylthieno[3,2-c]pyridine-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpyrrolidin-3-yl)-4-amino-3-[3-methoxy-4-[(1-methylindole-2-carbonyl)amino]phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-3-[3-methoxy-4-[(1-methylindole-2-carbonyl)amino]phenyl]-N-pyrrolidin-3-ylthieno[3,2-c]pyridine-7-carboxamide?
The IUPAC name of N-(1-acetylpyrrolidin-3-yl)-4-amino-3-[3-methoxy-4-[(1-methylindole-2-carbonyl)amino]phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-3-[3-methoxy-4-[(1-methylindole-2-carbonyl)amino]phenyl]-N-pyrrolidin-3-ylthieno[3,2-c]pyridine-7-carboxamide (CID 87933622) is N-(1-acetylpyrrolidin-3-yl)-4-amino-3-[3-methoxy-4-[(1-methylindole-2-carbonyl)amino]phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-3-[3-methoxy-4-[(1-methylindole-2-carbonyl)amino]phenyl]-N-pyrrolidin-3-ylthieno[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for N-(1-acetylpyrrolidin-3-yl)-4-amino-3-[3-methoxy-4-[(1-methylindole-2-carbonyl)amino]phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-3-[3-methoxy-4-[(1-methylindole-2-carbonyl)amino]phenyl]-N-pyrrolidin-3-ylthieno[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for N-(1-acetylpyrrolidin-3-yl)-4-amino-3-[3-methoxy-4-[(1-methylindole-2-carbonyl)amino]phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-3-[3-methoxy-4-[(1-methylindole-2-carbonyl)amino]phenyl]-N-pyrrolidin-3-ylthieno[3,2-c]pyridine-7-carboxamide is COc1cc(-c2csc3c(C(=O)NC4CCN(C(C)=O)C4)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C.COc1cc(-c2csc3c(C(=O)NC4CCNC4)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C.
What is the InChIKey of N-(1-acetylpyrrolidin-3-yl)-4-amino-3-[3-methoxy-4-[(1-methylindole-2-carbonyl)amino]phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-3-[3-methoxy-4-[(1-methylindole-2-carbonyl)amino]phenyl]-N-pyrrolidin-3-ylthieno[3,2-c]pyridine-7-carboxamide?
The InChIKey is CNQMNDZIFGNQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N6O4S.C29H28N6O3S/c1-17(38)37-11-10-20(15-37)34-30(39)21-14-33-29(32)27-22(16-42-28(21)27)18-8-9-23(26(13-18)41-3)35-31(40)25-12-19-6-4-5-7-24(19)36(25)2;1-35-22-6-4-3-5-17(22)11-23(35)29(37)34-21-8-7-16(12-24(21)38-2)20-15-39-26-19(14-32-27(30)25(20)26)28(36)33-18-9-10-31-13-18/h4-9,12-14,16,20H,10-11,15H2,1-3H3,(H2,32,33)(H,34,39)(H,35,40);3-8,11-12,14-15,18,31H,9-10,13H2,1-2H3,(H2,30,32)(H,33,36)(H,34,37).
What are the key properties of N-(1-acetylpyrrolidin-3-yl)-4-amino-3-[3-methoxy-4-[(1-methylindole-2-carbonyl)amino]phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-3-[3-methoxy-4-[(1-methylindole-2-carbonyl)amino]phenyl]-N-pyrrolidin-3-ylthieno[3,2-c]pyridine-7-carboxamide?
N-(1-acetylpyrrolidin-3-yl)-4-amino-3-[3-methoxy-4-[(1-methylindole-2-carbonyl)amino]phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-3-[3-methoxy-4-[(1-methylindole-2-carbonyl)amino]phenyl]-N-pyrrolidin-3-ylthieno[3,2-c]pyridine-7-carboxamide has a molecular weight of 1123.33 g/mol, XLogP of 9.04, 12 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpyrrolidin-3-yl)-4-amino-3-[3-methoxy-4-[(1-methylindole-2-carbonyl)amino]phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-3-[3-methoxy-4-[(1-methylindole-2-carbonyl)amino]phenyl]-N-pyrrolidin-3-ylthieno[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 87933622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).