4-hydroxy-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-7-(phosphanylmethyl)thieno[2,3-b]pyridin-6-one

C19H19N4O3PS — CID 154937246

IUPAC4-hydroxy-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-7-(phosphanylmethyl)thieno[2,3-b]pyridin-6-one
SMILESO=c1c(-c2nc3ccc(N4CCOCC4)cc3[nH]2)c(O)c2ccsc2n1CP
InChIInChI=1S/C19H19N4O3PS/c24-16-12-3-8-28-19(12)23(10-27)18(25)15(16)17-20-13-2-1-11(9-14(13)21-17)22-4-6-26-7-5-22/h1-3,8-9,24H,4-7,10,27H2,(H,20,21)
InChIKeyWNQVVPRAMDOKAH-UHFFFAOYSA-N
MW414.43 g/mol
LogP2.98
Rot. Bonds3

About 4-hydroxy-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-7-(phosphanylmethyl)thieno[2,3-b]pyridin-6-one

4-hydroxy-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-7-(phosphanylmethyl)thieno[2,3-b]pyridin-6-one (PubChem CID 154937246) has the molecular formula C19H19N4O3PS and a molecular weight of 414.43 g/mol. Its IUPAC name is 4-hydroxy-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-7-(phosphanylmethyl)thieno[2,3-b]pyridin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-7-(phosphanylmethyl)thieno[2,3-b]pyridin-6-one
PubChem CID154937246
Molecular FormulaC19H19N4O3PS
Molecular Weight414.43 g/mol
Exact Mass414.09
IUPAC Name4-hydroxy-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-7-(phosphanylmethyl)thieno[2,3-b]pyridin-6-one
SMILESO=c1c(-c2nc3ccc(N4CCOCC4)cc3[nH]2)c(O)c2ccsc2n1CP
InChIInChI=1S/C19H19N4O3PS/c24-16-12-3-8-28-19(12)23(10-27)18(25)15(16)17-20-13-2-1-11(9-14(13)21-17)22-4-6-26-7-5-22/h1-3,8-9,24H,4-7,10,27H2,(H,20,21)
InChIKeyWNQVVPRAMDOKAH-UHFFFAOYSA-N
XLogP2.98
TPSA83.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

7-hydroxy-4-(phosphanylmethyl)-6-[6-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]-1H-benzimidazol-2-yl]thieno[3,2-b]pyridin-5-one
CID 166930025
7-hydroxy-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-4H-thieno[3,2-b]pyridin-5-one
CID 137131972
4-amino-5-(6-piperidin-1-yl-1H-benzimidazol-2-yl)-7H-thieno[2,3-b]pyridin-6-one
CID 145214385
2-hydroxy-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)benzoic acid
CID 162530956
1-chloro-4-[2-(dimethylamino)ethylamino]-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)quinolin-2-one
CID 172732879
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
2-hydroxy-3-methoxy-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)benzoic acid
CID 162530946
2-(1H-benzimidazol-2-yl)-5-morpholin-4-ylphenol
CID 168554407
1-amino-6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)quinolin-2-one
CID 162189422
2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-amine
CID 17325486
3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-[[(1R)-1-(1,3-thiazol-4-yl)ethyl]amino]-1H-quinolin-2-one
CID 137394588
4-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]amino]-7-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-1H-quinolin-2-one
CID 68621837

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-7-(phosphanylmethyl)thieno[2,3-b]pyridin-6-one?
The IUPAC name of 4-hydroxy-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-7-(phosphanylmethyl)thieno[2,3-b]pyridin-6-one (CID 154937246) is 4-hydroxy-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-7-(phosphanylmethyl)thieno[2,3-b]pyridin-6-one.
What is the SMILES notation for 4-hydroxy-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-7-(phosphanylmethyl)thieno[2,3-b]pyridin-6-one?
The canonical SMILES for 4-hydroxy-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-7-(phosphanylmethyl)thieno[2,3-b]pyridin-6-one is O=c1c(-c2nc3ccc(N4CCOCC4)cc3[nH]2)c(O)c2ccsc2n1CP.
What is the InChIKey of 4-hydroxy-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-7-(phosphanylmethyl)thieno[2,3-b]pyridin-6-one?
The InChIKey is WNQVVPRAMDOKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N4O3PS/c24-16-12-3-8-28-19(12)23(10-27)18(25)15(16)17-20-13-2-1-11(9-14(13)21-17)22-4-6-26-7-5-22/h1-3,8-9,24H,4-7,10,27H2,(H,20,21).
What are the key properties of 4-hydroxy-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-7-(phosphanylmethyl)thieno[2,3-b]pyridin-6-one?
4-hydroxy-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-7-(phosphanylmethyl)thieno[2,3-b]pyridin-6-one has a molecular weight of 414.43 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-7-(phosphanylmethyl)thieno[2,3-b]pyridin-6-one is sourced from PubChem (CID 154937246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).