4-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[2,3-d]pyrimidin-2-yl]-1H-indole-6-carboxamide

C24H27N7O2S — CID 24938263

IUPAC4-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[2,3-d]pyrimidin-2-yl]-1H-indole-6-carboxamide
SMILESNC(=O)c1cc(-c2nc(N3CCOCC3)c3cc(CN4CCNCC4)sc3n2)c2cc[nH]c2c1
InChIInChI=1S/C24H27N7O2S/c25-21(32)15-11-18(17-1-2-27-20(17)12-15)22-28-23(31-7-9-33-10-8-31)19-13-16(34-24(19)29-22)14-30-5-3-26-4-6-30/h1-2,11-13,26-27H,3-10,14H2,(H2,25,32)
InChIKeyJZRBRCBNRRLILK-UHFFFAOYSA-N
MW477.59 g/mol
LogP2.18
Rot. Bonds5

About 4-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[2,3-d]pyrimidin-2-yl]-1H-indole-6-carboxamide

4-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[2,3-d]pyrimidin-2-yl]-1H-indole-6-carboxamide (PubChem CID 24938263) has the molecular formula C24H27N7O2S and a molecular weight of 477.59 g/mol. Its IUPAC name is 4-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[2,3-d]pyrimidin-2-yl]-1H-indole-6-carboxamide.

Molecular Properties

Compound Name4-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[2,3-d]pyrimidin-2-yl]-1H-indole-6-carboxamide
PubChem CID24938263
Molecular FormulaC24H27N7O2S
Molecular Weight477.59 g/mol
Exact Mass477.19
IUPAC Name4-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[2,3-d]pyrimidin-2-yl]-1H-indole-6-carboxamide
SMILESNC(=O)c1cc(-c2nc(N3CCOCC3)c3cc(CN4CCNCC4)sc3n2)c2cc[nH]c2c1
InChIInChI=1S/C24H27N7O2S/c25-21(32)15-11-18(17-1-2-27-20(17)12-15)22-28-23(31-7-9-33-10-8-31)19-13-16(34-24(19)29-22)14-30-5-3-26-4-6-30/h1-2,11-13,26-27H,3-10,14H2,(H2,25,32)
InChIKeyJZRBRCBNRRLILK-UHFFFAOYSA-N
XLogP2.18
TPSA112.40 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[2,3-d]pyrimidin-2-yl]-1H-indole-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[2,3-d]pyrimidin-2-yl]-1H-indole-6-carboxamide?
The IUPAC name of 4-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[2,3-d]pyrimidin-2-yl]-1H-indole-6-carboxamide (CID 24938263) is 4-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[2,3-d]pyrimidin-2-yl]-1H-indole-6-carboxamide.
What is the SMILES notation for 4-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[2,3-d]pyrimidin-2-yl]-1H-indole-6-carboxamide?
The canonical SMILES for 4-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[2,3-d]pyrimidin-2-yl]-1H-indole-6-carboxamide is NC(=O)c1cc(-c2nc(N3CCOCC3)c3cc(CN4CCNCC4)sc3n2)c2cc[nH]c2c1.
What is the InChIKey of 4-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[2,3-d]pyrimidin-2-yl]-1H-indole-6-carboxamide?
The InChIKey is JZRBRCBNRRLILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O2S/c25-21(32)15-11-18(17-1-2-27-20(17)12-15)22-28-23(31-7-9-33-10-8-31)19-13-16(34-24(19)29-22)14-30-5-3-26-4-6-30/h1-2,11-13,26-27H,3-10,14H2,(H2,25,32).
What are the key properties of 4-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[2,3-d]pyrimidin-2-yl]-1H-indole-6-carboxamide?
4-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[2,3-d]pyrimidin-2-yl]-1H-indole-6-carboxamide has a molecular weight of 477.59 g/mol, XLogP of 2.18, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[2,3-d]pyrimidin-2-yl]-1H-indole-6-carboxamide is sourced from PubChem (CID 24938263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).