N-[2-[(5-chloro-1H-indole-2-carbonyl)amino]-5-(2-oxooxolan-3-yl)oxyphenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

C27H24ClN5O5S — CID 139995131

About N-[2-[(5-chloro-1H-indole-2-carbonyl)amino]-5-(2-oxooxolan-3-yl)oxyphenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

N-[2-[(5-chloro-1H-indole-2-carbonyl)amino]-5-(2-oxooxolan-3-yl)oxyphenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 139995131) has the molecular formula C27H24ClN5O5S and a molecular weight of 566.04 g/mol. Its IUPAC name is N-[2-[(5-chloro-1H-indole-2-carbonyl)amino]-5-(2-oxooxolan-3-yl)oxyphenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[(5-chloro-1H-indole-2-carbonyl)amino]-5-(2-oxooxolan-3-yl)oxyphenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
• PubChem CID: 139995131
• Molecular Formula: C27H24ClN5O5S
• Molecular Weight: 566.04 g/mol
• Exact Mass: 565.12
• IUPAC Name: N-[2-[(5-chloro-1H-indole-2-carbonyl)amino]-5-(2-oxooxolan-3-yl)oxyphenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
• SMILES: CN1CCc2nc(C(=O)Nc3cc(OC4CCOC4=O)ccc3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1
• InChI: InChI=1S/C27H24ClN5O5S/c1-33-8-6-19-23(13-33)39-26(32-19)25(35)31-20-12-16(38-22-7-9-37-27(22)36)3-5-18(20)30-24(34)21-11-14-10-15(28)2-4-17(14)29-21/h2-5,10-12,22,29H,6-9,13H2,1H3,(H,30,34)(H,31,35)
• InChIKey: AIWZFYLOAGWMEO-UHFFFAOYSA-N
• XLogP: 4.46
• TPSA: 125.65 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	566.04
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-chloro-1H-indole-2-carbonyl)amino]-5-(2-oxooxolan-3-yl)oxyphenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?

The IUPAC name of N-[2-[(5-chloro-1H-indole-2-carbonyl)amino]-5-(2-oxooxolan-3-yl)oxyphenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 139995131) is N-[2-[(5-chloro-1H-indole-2-carbonyl)amino]-5-(2-oxooxolan-3-yl)oxyphenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

What is the SMILES notation for N-[2-[(5-chloro-1H-indole-2-carbonyl)amino]-5-(2-oxooxolan-3-yl)oxyphenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?

The canonical SMILES for N-[2-[(5-chloro-1H-indole-2-carbonyl)amino]-5-(2-oxooxolan-3-yl)oxyphenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is CN1CCc2nc(C(=O)Nc3cc(OC4CCOC4=O)ccc3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1.

What is the InChIKey of N-[2-[(5-chloro-1H-indole-2-carbonyl)amino]-5-(2-oxooxolan-3-yl)oxyphenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?

The InChIKey is AIWZFYLOAGWMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClN5O5S/c1-33-8-6-19-23(13-33)39-26(32-19)25(35)31-20-12-16(38-22-7-9-37-27(22)36)3-5-18(20)30-24(34)21-11-14-10-15(28)2-4-17(14)29-21/h2-5,10-12,22,29H,6-9,13H2,1H3,(H,30,34)(H,31,35).

What are the key properties of N-[2-[(5-chloro-1H-indole-2-carbonyl)amino]-5-(2-oxooxolan-3-yl)oxyphenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?

N-[2-[(5-chloro-1H-indole-2-carbonyl)amino]-5-(2-oxooxolan-3-yl)oxyphenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide has a molecular weight of 566.04 g/mol, XLogP of 4.46, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(5-chloro-1H-indole-2-carbonyl)amino]-5-(2-oxooxolan-3-yl)oxyphenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 139995131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).