[2-[(5R)-2-[4-(4-chlorophenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methanol

C25H31ClN4O2S — CID 176867839

IUPAC[2-[(5R)-2-[4-(4-chlorophenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methanol
SMILESO=[S@@]1CCc2nc(N3CCC(c4ccc(Cl)cc4)CC3)nc(N3CC4CCCC4C3CO)c21
InChIInChI=1S/C25H31ClN4O2S/c26-19-6-4-16(5-7-19)17-8-11-29(12-9-17)25-27-21-10-13-33(32)23(21)24(28-25)30-14-18-2-1-3-20(18)22(30)15-31/h4-7,17-18,20,22,31H,1-3,8-15H2/t18?,20?,22?,33-/m1/s1
InChIKeyFTSPABBKSRVCMO-ZFXSTIETSA-N
MW487.07 g/mol
LogP3.77
Rot. Bonds4

About [2-[(5R)-2-[4-(4-chlorophenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methanol

[2-[(5R)-2-[4-(4-chlorophenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methanol (PubChem CID 176867839) has the molecular formula C25H31ClN4O2S and a molecular weight of 487.07 g/mol. Its IUPAC name is [2-[(5R)-2-[4-(4-chlorophenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methanol.

Molecular Properties

Compound Name[2-[(5R)-2-[4-(4-chlorophenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methanol
PubChem CID176867839
Molecular FormulaC25H31ClN4O2S
Molecular Weight487.07 g/mol
Exact Mass486.19
IUPAC Name[2-[(5R)-2-[4-(4-chlorophenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methanol
SMILESO=[S@@]1CCc2nc(N3CCC(c4ccc(Cl)cc4)CC3)nc(N3CC4CCCC4C3CO)c21
InChIInChI=1S/C25H31ClN4O2S/c26-19-6-4-16(5-7-19)17-8-11-29(12-9-17)25-27-21-10-13-33(32)23(21)24(28-25)30-14-18-2-1-3-20(18)22(30)15-31/h4-7,17-18,20,22,31H,1-3,8-15H2/t18?,20?,22?,33-/m1/s1
InChIKeyFTSPABBKSRVCMO-ZFXSTIETSA-N
XLogP3.77
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.07
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[(5R)-2-[4-(4-chlorophenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methanol with MolForge

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Launch Full Analysis

Related Compounds

(5S)-2-[4-(4-chlorophenoxy)piperidin-1-yl]-4-piperidin-1-yl-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide
CID 175478097
[(3S)-8-[4-(4-chlorophenyl)piperidin-1-yl]-3-oxo-10-oxa-3λ4-thia-7,13-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),7-trien-12-yl]methanol
CID 176868019
N-[[1-[(5S)-2-[4-(4-chlorophenyl)piperazin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]pyrrolidin-2-yl]methyl]morpholine-4-carboxamide
CID 90756375
tert-butyl N-[(1S,2S)-2-[[2-[4-(4-chlorophenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]carbamate
CID 90221638
2-[4-(4-chlorophenyl)piperazin-1-yl]-4-piperidin-1-yl-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide
CID 59475908
(1R)-5-[4-(4-chlorophenyl)piperidin-1-yl]-7-[[1-(hydroxymethyl)cyclobutyl]amino]-1-oxo-2,3-dihydrothieno[3,2-b]pyridine-6-carbonitrile
CID 176869154
(1S)-5-[4-(4-chlorophenyl)piperidin-1-yl]-7-[[1-(hydroxymethyl)cyclobutyl]amino]-1-oxo-2,3-dihydrothieno[3,2-b]pyridine-6-carbonitrile
CID 176868660
1-[[2-[4-(4-chlorophenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-(4-fluorophenyl)-2-methylpropan-2-ol
CID 25266044
(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
2-[4-[[(5R)-2-[4-(4-chlorophenyl)piperidin-1-yl]-5-oxo-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-yl]amino]-3-fluorophenyl]acetic acid
CID 178120870
[(2R)-1-hydroxy-3-methylbutan-2-yl]-[5-oxo-2-(4-pyridin-4-ylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]azanium
CID 143791844
2-[4-[[(5R)-2-[3-(4-chlorophenyl)pyrrolidin-1-yl]-5-oxo-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-yl]amino]phenyl]acetic acid
CID 178120964

Frequently Asked Questions

What is the IUPAC name of [2-[(5R)-2-[4-(4-chlorophenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methanol?
The IUPAC name of [2-[(5R)-2-[4-(4-chlorophenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methanol (CID 176867839) is [2-[(5R)-2-[4-(4-chlorophenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methanol.
What is the SMILES notation for [2-[(5R)-2-[4-(4-chlorophenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methanol?
The canonical SMILES for [2-[(5R)-2-[4-(4-chlorophenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methanol is O=[S@@]1CCc2nc(N3CCC(c4ccc(Cl)cc4)CC3)nc(N3CC4CCCC4C3CO)c21.
What is the InChIKey of [2-[(5R)-2-[4-(4-chlorophenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methanol?
The InChIKey is FTSPABBKSRVCMO-ZFXSTIETSA-N. The full InChI is InChI=1S/C25H31ClN4O2S/c26-19-6-4-16(5-7-19)17-8-11-29(12-9-17)25-27-21-10-13-33(32)23(21)24(28-25)30-14-18-2-1-3-20(18)22(30)15-31/h4-7,17-18,20,22,31H,1-3,8-15H2/t18?,20?,22?,33-/m1/s1.
What are the key properties of [2-[(5R)-2-[4-(4-chlorophenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methanol?
[2-[(5R)-2-[4-(4-chlorophenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methanol has a molecular weight of 487.07 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5R)-2-[4-(4-chlorophenyl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methanol is sourced from PubChem (CID 176867839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).