6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-7-(piperidin-4-ylamino)-4H-thieno[3,2-b]pyridin-5-one

C24H29N7OS — CID 137297808

IUPAC6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-7-(piperidin-4-ylamino)-4H-thieno[3,2-b]pyridin-5-one
SMILESCN1CCN(c2ccc3nc(-c4c(NC5CCNCC5)c5sccc5[nH]c4=O)[nH]c3c2)CC1
InChIInChI=1S/C24H29N7OS/c1-30-9-11-31(12-10-30)16-2-3-17-19(14-16)28-23(27-17)20-21(26-15-4-7-25-8-5-15)22-18(6-13-33-22)29-24(20)32/h2-3,6,13-15,25H,4-5,7-12H2,1H3,(H,27,28)(H2,26,29,32)
InChIKeyILYFRVDRFYYBIN-UHFFFAOYSA-N
MW463.61 g/mol
LogP3.05
Rot. Bonds4

About 6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-7-(piperidin-4-ylamino)-4H-thieno[3,2-b]pyridin-5-one

6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-7-(piperidin-4-ylamino)-4H-thieno[3,2-b]pyridin-5-one (PubChem CID 137297808) has the molecular formula C24H29N7OS and a molecular weight of 463.61 g/mol. Its IUPAC name is 6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-7-(piperidin-4-ylamino)-4H-thieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-7-(piperidin-4-ylamino)-4H-thieno[3,2-b]pyridin-5-one
PubChem CID137297808
Molecular FormulaC24H29N7OS
Molecular Weight463.61 g/mol
Exact Mass463.22
IUPAC Name6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-7-(piperidin-4-ylamino)-4H-thieno[3,2-b]pyridin-5-one
SMILESCN1CCN(c2ccc3nc(-c4c(NC5CCNCC5)c5sccc5[nH]c4=O)[nH]c3c2)CC1
InChIInChI=1S/C24H29N7OS/c1-30-9-11-31(12-10-30)16-2-3-17-19(14-16)28-23(27-17)20-21(26-15-4-7-25-8-5-15)22-18(6-13-33-22)29-24(20)32/h2-3,6,13-15,25H,4-5,7-12H2,1H3,(H,27,28)(H2,26,29,32)
InChIKeyILYFRVDRFYYBIN-UHFFFAOYSA-N
XLogP3.05
TPSA92.08 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.61
LogP ≤ 53.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

7-hydroxy-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-4H-thieno[3,2-b]pyridin-5-one
CID 137131972
6-[6-[2-(methylamino)ethylamino]-1H-benzimidazol-2-yl]-7-(piperidin-4-ylamino)-4H-thieno[3,2-b]pyridin-5-one
CID 166802762
4-[[(1R,3R)-3-hydroxycyclopentyl]amino]-5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-7H-thieno[2,3-b]pyridin-6-one
CID 137292823
4-(cyclopentylamino)-3-methyl-5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-7H-thieno[2,3-b]pyridin-6-one
CID 137288833
6-chloro-3-(6-chloro-1H-benzimidazol-2-yl)-4-[[(3R)-pyrrolidin-3-yl]amino]-1H-quinolin-2-one
CID 136599580
4-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one
CID 136621476
4-amino-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-1,5-naphthyridin-2-one
CID 135839371
2-methyl-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-7-(1-phenylethylamino)-4H-pyrazolo[4,3-b]pyridin-5-one
CID 138663002
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
3-(6-fluoro-1H-benzimidazol-2-yl)-6,7-dimethoxy-4-(pyrrolidin-3-ylamino)-1H-quinolin-2-one
CID 89453325
2-N-cyclopropyl-5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-4-N-[(3S)-piperidin-3-yl]pyrimidine-2,4-diamine
CID 171483015
3-(1H-benzimidazol-2-yl)-6-methyl-4-(piperidin-4-ylamino)-1H-quinolin-2-one
CID 135489323

Frequently Asked Questions

What is the IUPAC name of 6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-7-(piperidin-4-ylamino)-4H-thieno[3,2-b]pyridin-5-one?
The IUPAC name of 6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-7-(piperidin-4-ylamino)-4H-thieno[3,2-b]pyridin-5-one (CID 137297808) is 6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-7-(piperidin-4-ylamino)-4H-thieno[3,2-b]pyridin-5-one.
What is the SMILES notation for 6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-7-(piperidin-4-ylamino)-4H-thieno[3,2-b]pyridin-5-one?
The canonical SMILES for 6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-7-(piperidin-4-ylamino)-4H-thieno[3,2-b]pyridin-5-one is CN1CCN(c2ccc3nc(-c4c(NC5CCNCC5)c5sccc5[nH]c4=O)[nH]c3c2)CC1.
What is the InChIKey of 6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-7-(piperidin-4-ylamino)-4H-thieno[3,2-b]pyridin-5-one?
The InChIKey is ILYFRVDRFYYBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7OS/c1-30-9-11-31(12-10-30)16-2-3-17-19(14-16)28-23(27-17)20-21(26-15-4-7-25-8-5-15)22-18(6-13-33-22)29-24(20)32/h2-3,6,13-15,25H,4-5,7-12H2,1H3,(H,27,28)(H2,26,29,32).
What are the key properties of 6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-7-(piperidin-4-ylamino)-4H-thieno[3,2-b]pyridin-5-one?
6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-7-(piperidin-4-ylamino)-4H-thieno[3,2-b]pyridin-5-one has a molecular weight of 463.61 g/mol, XLogP of 3.05, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-7-(piperidin-4-ylamino)-4H-thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 137297808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).