2-[4-(6-chloro-1-methoxyindol-2-yl)sulfonyl-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]-1-morpholin-4-ylethanone

C27H33ClN6O6S2 — CID 139897437

IUPAC2-[4-(6-chloro-1-methoxyindol-2-yl)sulfonyl-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]-1-morpholin-4-ylethanone
SMILESCOn1c(S(=O)(=O)N2CCN(C(=O)c3nc4c(s3)CN(C)CC4)C(CC(=O)N3CCOCC3)C2)cc2ccc(Cl)cc21
InChIInChI=1S/C27H33ClN6O6S2/c1-30-6-5-21-23(17-30)41-26(29-21)27(36)33-8-7-32(16-20(33)15-24(35)31-9-11-40-12-10-31)42(37,38)25-13-18-3-4-19(28)14-22(18)34(25)39-2/h3-4,13-14,20H,5-12,15-17H2,1-2H3
InChIKeyGVAMVSDNOZUTIY-UHFFFAOYSA-N
MW637.18 g/mol
LogP1.56
Rot. Bonds6

About 2-[4-(6-chloro-1-methoxyindol-2-yl)sulfonyl-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]-1-morpholin-4-ylethanone

2-[4-(6-chloro-1-methoxyindol-2-yl)sulfonyl-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]-1-morpholin-4-ylethanone (PubChem CID 139897437) has the molecular formula C27H33ClN6O6S2 and a molecular weight of 637.18 g/mol. Its IUPAC name is 2-[4-(6-chloro-1-methoxyindol-2-yl)sulfonyl-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-(6-chloro-1-methoxyindol-2-yl)sulfonyl-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]-1-morpholin-4-ylethanone
PubChem CID139897437
Molecular FormulaC27H33ClN6O6S2
Molecular Weight637.18 g/mol
Exact Mass636.16
IUPAC Name2-[4-(6-chloro-1-methoxyindol-2-yl)sulfonyl-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]-1-morpholin-4-ylethanone
SMILESCOn1c(S(=O)(=O)N2CCN(C(=O)c3nc4c(s3)CN(C)CC4)C(CC(=O)N3CCOCC3)C2)cc2ccc(Cl)cc21
InChIInChI=1S/C27H33ClN6O6S2/c1-30-6-5-21-23(17-30)41-26(29-21)27(36)33-8-7-32(16-20(33)15-24(35)31-9-11-40-12-10-31)42(37,38)25-13-18-3-4-19(28)14-22(18)34(25)39-2/h3-4,13-14,20H,5-12,15-17H2,1-2H3
InChIKeyGVAMVSDNOZUTIY-UHFFFAOYSA-N
XLogP1.56
TPSA117.52 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500637.18
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-[4-(6-chloro-1-methoxyindol-2-yl)sulfonyl-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]-1-morpholin-4-ylethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-chloro-1-methoxyindol-2-yl)sulfonyl-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-(6-chloro-1-methoxyindol-2-yl)sulfonyl-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]-1-morpholin-4-ylethanone (CID 139897437) is 2-[4-(6-chloro-1-methoxyindol-2-yl)sulfonyl-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-(6-chloro-1-methoxyindol-2-yl)sulfonyl-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-(6-chloro-1-methoxyindol-2-yl)sulfonyl-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]-1-morpholin-4-ylethanone is COn1c(S(=O)(=O)N2CCN(C(=O)c3nc4c(s3)CN(C)CC4)C(CC(=O)N3CCOCC3)C2)cc2ccc(Cl)cc21.
What is the InChIKey of 2-[4-(6-chloro-1-methoxyindol-2-yl)sulfonyl-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]-1-morpholin-4-ylethanone?
The InChIKey is GVAMVSDNOZUTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33ClN6O6S2/c1-30-6-5-21-23(17-30)41-26(29-21)27(36)33-8-7-32(16-20(33)15-24(35)31-9-11-40-12-10-31)42(37,38)25-13-18-3-4-19(28)14-22(18)34(25)39-2/h3-4,13-14,20H,5-12,15-17H2,1-2H3.
What are the key properties of 2-[4-(6-chloro-1-methoxyindol-2-yl)sulfonyl-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]-1-morpholin-4-ylethanone?
2-[4-(6-chloro-1-methoxyindol-2-yl)sulfonyl-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]-1-morpholin-4-ylethanone has a molecular weight of 637.18 g/mol, XLogP of 1.56, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-chloro-1-methoxyindol-2-yl)sulfonyl-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 139897437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).