3-methyl-2-[[2-[4-[3-[(2S)-2-methyl-1,2-dihydropyridin-4-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol

C24H33N7O3S — CID 143792298

IUPAC3-methyl-2-[[2-[4-[3-[(2S)-2-methyl-1,2-dihydropyridin-4-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol
SMILESCC(C)C(CO)Nc1nc(N2CCC(c3nc(C4=C[C@H](C)NC=C4)no3)CC2)nc2c1S(=O)CC2
InChIInChI=1S/C24H33N7O3S/c1-14(2)19(13-32)26-22-20-18(7-11-35(20)33)27-24(29-22)31-9-5-16(6-10-31)23-28-21(30-34-23)17-4-8-25-15(3)12-17/h4,8,12,14-16,19,25,32H,5-7,9-11,13H2,1-3H3,(H,26,27,29)/t15-,19?,35?/m0/s1
InChIKeyRZNZOMLREOAATN-RLSHVGNESA-N
MW499.64 g/mol
LogP2.22
Rot. Bonds7

About 3-methyl-2-[[2-[4-[3-[(2S)-2-methyl-1,2-dihydropyridin-4-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol

3-methyl-2-[[2-[4-[3-[(2S)-2-methyl-1,2-dihydropyridin-4-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol (PubChem CID 143792298) has the molecular formula C24H33N7O3S and a molecular weight of 499.64 g/mol. Its IUPAC name is 3-methyl-2-[[2-[4-[3-[(2S)-2-methyl-1,2-dihydropyridin-4-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol.

Molecular Properties

Compound Name3-methyl-2-[[2-[4-[3-[(2S)-2-methyl-1,2-dihydropyridin-4-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol
PubChem CID143792298
Molecular FormulaC24H33N7O3S
Molecular Weight499.64 g/mol
Exact Mass499.24
IUPAC Name3-methyl-2-[[2-[4-[3-[(2S)-2-methyl-1,2-dihydropyridin-4-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol
SMILESCC(C)C(CO)Nc1nc(N2CCC(c3nc(C4=C[C@H](C)NC=C4)no3)CC2)nc2c1S(=O)CC2
InChIInChI=1S/C24H33N7O3S/c1-14(2)19(13-32)26-22-20-18(7-11-35(20)33)27-24(29-22)31-9-5-16(6-10-31)23-28-21(30-34-23)17-4-8-25-15(3)12-17/h4,8,12,14-16,19,25,32H,5-7,9-11,13H2,1-3H3,(H,26,27,29)/t15-,19?,35?/m0/s1
InChIKeyRZNZOMLREOAATN-RLSHVGNESA-N
XLogP2.22
TPSA129.30 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.64
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 3-methyl-2-[[2-[4-[3-[(2S)-2-methyl-1,2-dihydropyridin-4-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol with MolForge

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Related Compounds

(2R)-3-methyl-2-[[5-oxo-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol
CID 58117789
(2R)-2-[[2-[4-(4-methoxyphenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol
CID 58117793
(2R)-2-[[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol
CID 58117897
[1-[[5-oxo-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol
CID 25270930
2-[[(5R)-2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol
CID 123625784
(2R)-2-[[2-[4-(2-ethyl-5-fluoro-1H-indol-3-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol
CID 66669835
2-[[(5R)-2-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol
CID 123735121
(2R)-2-[[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol
CID 25265609
4-(4-chlorophenyl)-1-[4-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-ol
CID 58117750
1-[4-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-4-(4-methylphenyl)piperidin-4-ol
CID 58117617
4-(3,5-difluorophenyl)-1-[4-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-ol
CID 25266728
2-[[(5R)-2-[(2R)-4-(4-chlorophenyl)-2-methylpiperazin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol
CID 123818436

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[2-[4-[3-[(2S)-2-methyl-1,2-dihydropyridin-4-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol?
The IUPAC name of 3-methyl-2-[[2-[4-[3-[(2S)-2-methyl-1,2-dihydropyridin-4-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol (CID 143792298) is 3-methyl-2-[[2-[4-[3-[(2S)-2-methyl-1,2-dihydropyridin-4-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol.
What is the SMILES notation for 3-methyl-2-[[2-[4-[3-[(2S)-2-methyl-1,2-dihydropyridin-4-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol?
The canonical SMILES for 3-methyl-2-[[2-[4-[3-[(2S)-2-methyl-1,2-dihydropyridin-4-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol is CC(C)C(CO)Nc1nc(N2CCC(c3nc(C4=C[C@H](C)NC=C4)no3)CC2)nc2c1S(=O)CC2.
What is the InChIKey of 3-methyl-2-[[2-[4-[3-[(2S)-2-methyl-1,2-dihydropyridin-4-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol?
The InChIKey is RZNZOMLREOAATN-RLSHVGNESA-N. The full InChI is InChI=1S/C24H33N7O3S/c1-14(2)19(13-32)26-22-20-18(7-11-35(20)33)27-24(29-22)31-9-5-16(6-10-31)23-28-21(30-34-23)17-4-8-25-15(3)12-17/h4,8,12,14-16,19,25,32H,5-7,9-11,13H2,1-3H3,(H,26,27,29)/t15-,19?,35?/m0/s1.
What are the key properties of 3-methyl-2-[[2-[4-[3-[(2S)-2-methyl-1,2-dihydropyridin-4-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol?
3-methyl-2-[[2-[4-[3-[(2S)-2-methyl-1,2-dihydropyridin-4-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol has a molecular weight of 499.64 g/mol, XLogP of 2.22, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[2-[4-[3-[(2S)-2-methyl-1,2-dihydropyridin-4-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butan-1-ol is sourced from PubChem (CID 143792298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).