7-(4-amino-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;bis(7-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one);2-pyridin-2-yl-7-(4-pyridin-3-ylpiperidine-1-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one

C102H94N24O11S5 — CID 167593890

IUPAC7-(4-amino-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;bis(7-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one);2-pyridin-2-yl-7-(4-pyridin-3-ylpiperidine-1-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCC1(N)CCN(C(=O)c2csc3c(=O)[nH]c(-c4ccccn4)nc23)CC1.CC1(O)CCN(C(=O)c2csc3c(=O)[nH]c(-c4ccccn4)nc23)CC1.O=C(c1csc2c(=O)[nH]c(-c3ccccn3)nc12)N1CCC(c2cccnc2)CC1.O=C(c1csc2c(=O)[nH]c(-c3ccccn3)nc12)N1CCN(c2ccccc2)CC1.O=C(c1csc2c(=O)[nH]c(-c3ccccn3)nc12)N1CCN(c2ccccc2)CC1
InChIInChI=1S/3C22H19N5O2S.C18H19N5O2S.C18H18N4O3S/c28-21-19-18(25-20(26-21)17-5-1-2-9-24-17)16(13-30-19)22(29)27-10-6-14(7-11-27)15-4-3-8-23-12-15;2*28-21-19-18(24-20(25-21)17-8-4-5-9-23-17)16(14-30-19)22(29)27-12-10-26(11-13-27)15-6-2-1-3-7-15;1-18(19)5-8-23(9-6-18)17(25)11-10-26-14-13(11)21-15(22-16(14)24)12-4-2-3-7-20-12;1-18(25)5-8-22(9-6-18)17(24)11-10-26-14-13(11)20-15(21-16(14)23)12-4-2-3-7-19-12/h1-5,8-9,12-14H,6-7,10-11H2,(H,25,26,28);2*1-9,14H,10-13H2,(H,24,25,28);2-4,7,10H,5-6,8-9,19H2,1H3,(H,21,22,24);2-4,7,10,25H,5-6,8-9H2,1H3,(H,20,21,23)
InChIKeyIUCCLEHWSVYPTG-UHFFFAOYSA-N
MW1992.37 g/mol
LogP13.51
Rot. Bonds13

About 7-(4-amino-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;bis(7-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one);2-pyridin-2-yl-7-(4-pyridin-3-ylpiperidine-1-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one

7-(4-amino-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;bis(7-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one);2-pyridin-2-yl-7-(4-pyridin-3-ylpiperidine-1-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 167593890) has the molecular formula C102H94N24O11S5 and a molecular weight of 1992.37 g/mol. Its IUPAC name is 7-(4-amino-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;bis(7-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one);2-pyridin-2-yl-7-(4-pyridin-3-ylpiperidine-1-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(4-amino-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;bis(7-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one);2-pyridin-2-yl-7-(4-pyridin-3-ylpiperidine-1-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID167593890
Molecular FormulaC102H94N24O11S5
Molecular Weight1992.37 g/mol
Exact Mass1990.61
IUPAC Name7-(4-amino-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;bis(7-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one);2-pyridin-2-yl-7-(4-pyridin-3-ylpiperidine-1-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCC1(N)CCN(C(=O)c2csc3c(=O)[nH]c(-c4ccccn4)nc23)CC1.CC1(O)CCN(C(=O)c2csc3c(=O)[nH]c(-c4ccccn4)nc23)CC1.O=C(c1csc2c(=O)[nH]c(-c3ccccn3)nc12)N1CCC(c2cccnc2)CC1.O=C(c1csc2c(=O)[nH]c(-c3ccccn3)nc12)N1CCN(c2ccccc2)CC1.O=C(c1csc2c(=O)[nH]c(-c3ccccn3)nc12)N1CCN(c2ccccc2)CC1
InChIInChI=1S/3C22H19N5O2S.C18H19N5O2S.C18H18N4O3S/c28-21-19-18(25-20(26-21)17-5-1-2-9-24-17)16(13-30-19)22(29)27-10-6-14(7-11-27)15-4-3-8-23-12-15;2*28-21-19-18(24-20(25-21)17-8-4-5-9-23-17)16(14-30-19)22(29)27-12-10-26(11-13-27)15-6-2-1-3-7-15;1-18(19)5-8-23(9-6-18)17(25)11-10-26-14-13(11)21-15(22-16(14)24)12-4-2-3-7-20-12;1-18(25)5-8-22(9-6-18)17(24)11-10-26-14-13(11)20-15(21-16(14)23)12-4-2-3-7-19-12/h1-5,8-9,12-14H,6-7,10-11H2,(H,25,26,28);2*1-9,14H,10-13H2,(H,24,25,28);2-4,7,10H,5-6,8-9,19H2,1H3,(H,21,22,24);2-4,7,10,25H,5-6,8-9H2,1H3,(H,20,21,23)
InChIKeyIUCCLEHWSVYPTG-UHFFFAOYSA-N
XLogP13.51
TPSA460.37 Ų
H-Bond Donors7
H-Bond Acceptors30
Rotatable Bonds13
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001992.37
LogP ≤ 513.51
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1030

Analyze 7-(4-amino-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;bis(7-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one);2-pyridin-2-yl-7-(4-pyridin-3-ylpiperidine-1-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

7-(4-amino-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;N-(2-hydroxyethyl)-4-oxo-N-(2-propoxyethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide;7-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;N-methyl-4-oxo-N-(2-propoxyethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide;N-[1-(4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carbonyl)piperidin-4-yl]acetamide;7-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-(4-pyridin-3-ylpiperidine-1-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 159348149
7-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 137429778
7-[4-(3-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 159869922
2-[1-(4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carbonyl)piperidin-4-yl]acetaldehyde
CID 137429876
7-[4-(2-fluoro-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 159908992
3-[1-(4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carbonyl)piperidin-4-yl]propanal
CID 142506495
7-[4-(2-methoxy-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 162000609
7-[2-(3-methoxyphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 137429783
7-[4-[(4-methoxyphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 137429613
6-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 137429593
7-[3-[1-[2-[7-[3-(3-hydroxyphenyl)pyrrolidine-1-carbonyl]-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl]-4-pyridinyl]pyridin-1-ium-4-yl]pyrrolidine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 170419416
7-[2-(3-chlorophenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 137429791

Frequently Asked Questions

What is the IUPAC name of 7-(4-amino-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;bis(7-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one);2-pyridin-2-yl-7-(4-pyridin-3-ylpiperidine-1-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-(4-amino-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;bis(7-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one);2-pyridin-2-yl-7-(4-pyridin-3-ylpiperidine-1-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one (CID 167593890) is 7-(4-amino-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;bis(7-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one);2-pyridin-2-yl-7-(4-pyridin-3-ylpiperidine-1-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-(4-amino-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;bis(7-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one);2-pyridin-2-yl-7-(4-pyridin-3-ylpiperidine-1-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-(4-amino-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;bis(7-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one);2-pyridin-2-yl-7-(4-pyridin-3-ylpiperidine-1-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one is CC1(N)CCN(C(=O)c2csc3c(=O)[nH]c(-c4ccccn4)nc23)CC1.CC1(O)CCN(C(=O)c2csc3c(=O)[nH]c(-c4ccccn4)nc23)CC1.O=C(c1csc2c(=O)[nH]c(-c3ccccn3)nc12)N1CCC(c2cccnc2)CC1.O=C(c1csc2c(=O)[nH]c(-c3ccccn3)nc12)N1CCN(c2ccccc2)CC1.O=C(c1csc2c(=O)[nH]c(-c3ccccn3)nc12)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 7-(4-amino-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;bis(7-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one);2-pyridin-2-yl-7-(4-pyridin-3-ylpiperidine-1-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is IUCCLEHWSVYPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/3C22H19N5O2S.C18H19N5O2S.C18H18N4O3S/c28-21-19-18(25-20(26-21)17-5-1-2-9-24-17)16(13-30-19)22(29)27-10-6-14(7-11-27)15-4-3-8-23-12-15;2*28-21-19-18(24-20(25-21)17-8-4-5-9-23-17)16(14-30-19)22(29)27-12-10-26(11-13-27)15-6-2-1-3-7-15;1-18(19)5-8-23(9-6-18)17(25)11-10-26-14-13(11)21-15(22-16(14)24)12-4-2-3-7-20-12;1-18(25)5-8-22(9-6-18)17(24)11-10-26-14-13(11)20-15(21-16(14)23)12-4-2-3-7-19-12/h1-5,8-9,12-14H,6-7,10-11H2,(H,25,26,28);2*1-9,14H,10-13H2,(H,24,25,28);2-4,7,10H,5-6,8-9,19H2,1H3,(H,21,22,24);2-4,7,10,25H,5-6,8-9H2,1H3,(H,20,21,23).
What are the key properties of 7-(4-amino-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;bis(7-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one);2-pyridin-2-yl-7-(4-pyridin-3-ylpiperidine-1-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one?
7-(4-amino-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;bis(7-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one);2-pyridin-2-yl-7-(4-pyridin-3-ylpiperidine-1-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 1992.37 g/mol, XLogP of 13.51, 13 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-amino-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;bis(7-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one);2-pyridin-2-yl-7-(4-pyridin-3-ylpiperidine-1-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 167593890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).