2-[4-[[2-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-c]pyridin-4-yl]-4-morpholin-4-ylthieno[3,2-c]pyridin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide

C34H39N7O4S2 — CID 67492602

IUPAC2-[4-[[2-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-c]pyridin-4-yl]-4-morpholin-4-ylthieno[3,2-c]pyridin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide
SMILESCc1cc2c(-c3cc4c(N5CCOCC5)nc(CN5CCN(C(C)(C)C(N)=O)CC5)cc4s3)cncc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C34H39N7O4S2/c1-23-17-26-28(20-36-21-29(26)41(23)47(43,44)25-7-5-4-6-8-25)31-19-27-30(46-31)18-24(37-32(27)39-13-15-45-16-14-39)22-38-9-11-40(12-10-38)34(2,3)33(35)42/h4-8,17-21H,9-16,22H2,1-3H3,(H2,35,42)
InChIKeyFVXXQEHUIKTGER-UHFFFAOYSA-N
MW673.87 g/mol
LogP4.08
Rot. Bonds8

About 2-[4-[[2-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-c]pyridin-4-yl]-4-morpholin-4-ylthieno[3,2-c]pyridin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide

2-[4-[[2-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-c]pyridin-4-yl]-4-morpholin-4-ylthieno[3,2-c]pyridin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide (PubChem CID 67492602) has the molecular formula C34H39N7O4S2 and a molecular weight of 673.87 g/mol. Its IUPAC name is 2-[4-[[2-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-c]pyridin-4-yl]-4-morpholin-4-ylthieno[3,2-c]pyridin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-[4-[[2-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-c]pyridin-4-yl]-4-morpholin-4-ylthieno[3,2-c]pyridin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide
PubChem CID67492602
Molecular FormulaC34H39N7O4S2
Molecular Weight673.87 g/mol
Exact Mass673.25
IUPAC Name2-[4-[[2-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-c]pyridin-4-yl]-4-morpholin-4-ylthieno[3,2-c]pyridin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide
SMILESCc1cc2c(-c3cc4c(N5CCOCC5)nc(CN5CCN(C(C)(C)C(N)=O)CC5)cc4s3)cncc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C34H39N7O4S2/c1-23-17-26-28(20-36-21-29(26)41(23)47(43,44)25-7-5-4-6-8-25)31-19-27-30(46-31)18-24(37-32(27)39-13-15-45-16-14-39)22-38-9-11-40(12-10-38)34(2,3)33(35)42/h4-8,17-21H,9-16,22H2,1-3H3,(H2,35,42)
InChIKeyFVXXQEHUIKTGER-UHFFFAOYSA-N
XLogP4.08
TPSA126.89 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.87
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 2-[4-[[2-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-c]pyridin-4-yl]-4-morpholin-4-ylthieno[3,2-c]pyridin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-c]pyridin-4-yl]-4-morpholin-4-ylthieno[3,2-c]pyridin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide?
The IUPAC name of 2-[4-[[2-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-c]pyridin-4-yl]-4-morpholin-4-ylthieno[3,2-c]pyridin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide (CID 67492602) is 2-[4-[[2-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-c]pyridin-4-yl]-4-morpholin-4-ylthieno[3,2-c]pyridin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide.
What is the SMILES notation for 2-[4-[[2-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-c]pyridin-4-yl]-4-morpholin-4-ylthieno[3,2-c]pyridin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide?
The canonical SMILES for 2-[4-[[2-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-c]pyridin-4-yl]-4-morpholin-4-ylthieno[3,2-c]pyridin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide is Cc1cc2c(-c3cc4c(N5CCOCC5)nc(CN5CCN(C(C)(C)C(N)=O)CC5)cc4s3)cncc2n1S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[4-[[2-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-c]pyridin-4-yl]-4-morpholin-4-ylthieno[3,2-c]pyridin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide?
The InChIKey is FVXXQEHUIKTGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39N7O4S2/c1-23-17-26-28(20-36-21-29(26)41(23)47(43,44)25-7-5-4-6-8-25)31-19-27-30(46-31)18-24(37-32(27)39-13-15-45-16-14-39)22-38-9-11-40(12-10-38)34(2,3)33(35)42/h4-8,17-21H,9-16,22H2,1-3H3,(H2,35,42).
What are the key properties of 2-[4-[[2-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-c]pyridin-4-yl]-4-morpholin-4-ylthieno[3,2-c]pyridin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide?
2-[4-[[2-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-c]pyridin-4-yl]-4-morpholin-4-ylthieno[3,2-c]pyridin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide has a molecular weight of 673.87 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-c]pyridin-4-yl]-4-morpholin-4-ylthieno[3,2-c]pyridin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide is sourced from PubChem (CID 67492602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).