6-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-(1-pyrimidin-2-ylethylamino)-4H-thieno[3,2-b]pyridin-5-one

C24H25N9OS — CID 154966445

IUPAC6-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-(1-pyrimidin-2-ylethylamino)-4H-thieno[3,2-b]pyridin-5-one
SMILESCC(Nc1c(-c2nc3cc(N4CCN(C)CC4)ncc3[nH]2)c(=O)[nH]c2ccsc12)c1ncccn1
InChIInChI=1S/C24H25N9OS/c1-14(22-25-5-3-6-26-22)28-20-19(24(34)31-15-4-11-35-21(15)20)23-29-16-12-18(27-13-17(16)30-23)33-9-7-32(2)8-10-33/h3-6,11-14H,7-10H2,1-2H3,(H,29,30)(H2,28,31,34)
InChIKeyRNOYWQGFESESAN-UHFFFAOYSA-N
MW487.59 g/mol
LogP3.24
Rot. Bonds5

About 6-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-(1-pyrimidin-2-ylethylamino)-4H-thieno[3,2-b]pyridin-5-one

6-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-(1-pyrimidin-2-ylethylamino)-4H-thieno[3,2-b]pyridin-5-one (PubChem CID 154966445) has the molecular formula C24H25N9OS and a molecular weight of 487.59 g/mol. Its IUPAC name is 6-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-(1-pyrimidin-2-ylethylamino)-4H-thieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name6-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-(1-pyrimidin-2-ylethylamino)-4H-thieno[3,2-b]pyridin-5-one
PubChem CID154966445
Molecular FormulaC24H25N9OS
Molecular Weight487.59 g/mol
Exact Mass487.19
IUPAC Name6-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-(1-pyrimidin-2-ylethylamino)-4H-thieno[3,2-b]pyridin-5-one
SMILESCC(Nc1c(-c2nc3cc(N4CCN(C)CC4)ncc3[nH]2)c(=O)[nH]c2ccsc12)c1ncccn1
InChIInChI=1S/C24H25N9OS/c1-14(22-25-5-3-6-26-22)28-20-19(24(34)31-15-4-11-35-21(15)20)23-29-16-12-18(27-13-17(16)30-23)33-9-7-32(2)8-10-33/h3-6,11-14H,7-10H2,1-2H3,(H,29,30)(H2,28,31,34)
InChIKeyRNOYWQGFESESAN-UHFFFAOYSA-N
XLogP3.24
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.59
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 6-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-(1-pyrimidin-2-ylethylamino)-4H-thieno[3,2-b]pyridin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-(1-pyrimidin-2-ylethylamino)-4H-thieno[3,2-b]pyridin-5-one?
The IUPAC name of 6-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-(1-pyrimidin-2-ylethylamino)-4H-thieno[3,2-b]pyridin-5-one (CID 154966445) is 6-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-(1-pyrimidin-2-ylethylamino)-4H-thieno[3,2-b]pyridin-5-one.
What is the SMILES notation for 6-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-(1-pyrimidin-2-ylethylamino)-4H-thieno[3,2-b]pyridin-5-one?
The canonical SMILES for 6-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-(1-pyrimidin-2-ylethylamino)-4H-thieno[3,2-b]pyridin-5-one is CC(Nc1c(-c2nc3cc(N4CCN(C)CC4)ncc3[nH]2)c(=O)[nH]c2ccsc12)c1ncccn1.
What is the InChIKey of 6-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-(1-pyrimidin-2-ylethylamino)-4H-thieno[3,2-b]pyridin-5-one?
The InChIKey is RNOYWQGFESESAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N9OS/c1-14(22-25-5-3-6-26-22)28-20-19(24(34)31-15-4-11-35-21(15)20)23-29-16-12-18(27-13-17(16)30-23)33-9-7-32(2)8-10-33/h3-6,11-14H,7-10H2,1-2H3,(H,29,30)(H2,28,31,34).
What are the key properties of 6-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-(1-pyrimidin-2-ylethylamino)-4H-thieno[3,2-b]pyridin-5-one?
6-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-(1-pyrimidin-2-ylethylamino)-4H-thieno[3,2-b]pyridin-5-one has a molecular weight of 487.59 g/mol, XLogP of 3.24, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-(1-pyrimidin-2-ylethylamino)-4H-thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 154966445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).