1-[4-[[4-[(4-hydroxy-4-methylcyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]pyrazol-1-yl]-2-piperidin-4-ylethanone

C24H32N6O2S — CID 159427998

IUPAC1-[4-[[4-[(4-hydroxy-4-methylcyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]pyrazol-1-yl]-2-piperidin-4-ylethanone
SMILESCC1(O)CCC(Nc2nc(Cc3cnn(C(=O)CC4CCNCC4)c3)nc3ccsc23)CC1
InChIInChI=1S/C24H32N6O2S/c1-24(32)7-2-18(3-8-24)27-23-22-19(6-11-33-22)28-20(29-23)12-17-14-26-30(15-17)21(31)13-16-4-9-25-10-5-16/h6,11,14-16,18,25,32H,2-5,7-10,12-13H2,1H3,(H,27,28,29)
InChIKeyLQPQFGUETLCYLG-UHFFFAOYSA-N
MW468.63 g/mol
LogP3.61
Rot. Bonds6

About 1-[4-[[4-[(4-hydroxy-4-methylcyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]pyrazol-1-yl]-2-piperidin-4-ylethanone

1-[4-[[4-[(4-hydroxy-4-methylcyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]pyrazol-1-yl]-2-piperidin-4-ylethanone (PubChem CID 159427998) has the molecular formula C24H32N6O2S and a molecular weight of 468.63 g/mol. Its IUPAC name is 1-[4-[[4-[(4-hydroxy-4-methylcyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]pyrazol-1-yl]-2-piperidin-4-ylethanone.

Molecular Properties

Compound Name1-[4-[[4-[(4-hydroxy-4-methylcyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]pyrazol-1-yl]-2-piperidin-4-ylethanone
PubChem CID159427998
Molecular FormulaC24H32N6O2S
Molecular Weight468.63 g/mol
Exact Mass468.23
IUPAC Name1-[4-[[4-[(4-hydroxy-4-methylcyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]pyrazol-1-yl]-2-piperidin-4-ylethanone
SMILESCC1(O)CCC(Nc2nc(Cc3cnn(C(=O)CC4CCNCC4)c3)nc3ccsc23)CC1
InChIInChI=1S/C24H32N6O2S/c1-24(32)7-2-18(3-8-24)27-23-22-19(6-11-33-22)28-20(29-23)12-17-14-26-30(15-17)21(31)13-16-4-9-25-10-5-16/h6,11,14-16,18,25,32H,2-5,7-10,12-13H2,1H3,(H,27,28,29)
InChIKeyLQPQFGUETLCYLG-UHFFFAOYSA-N
XLogP3.61
TPSA104.96 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.63
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 1-[4-[[4-[(4-hydroxy-4-methylcyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]pyrazol-1-yl]-2-piperidin-4-ylethanone with MolForge

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Related Compounds

5-[[4-[(4-hydroxy-4-methylcyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]-N-piperidin-4-yl-1,2-thiazole-3-carboxamide
CID 157361996
5-[[4-[(4-hydroxy-4-methylcyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]-N-[(3R)-pyrrolidin-3-yl]-1,2-thiazole-3-carboxamide
CID 158089385
4-[[2-[(2-methoxy-4-pyridinyl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]-1-methylcyclohexan-1-ol
CID 158107691
[5-[[4-[(4-hydroxy-4-methylcyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]thiophen-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 158089389
4-[[2-[[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 158611356
cis-(1R,3S)-3-[2-[(1-methylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]oxycyclopentan-1-amine;cis-(1R,3S)-3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentan-1-ol;(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[2-[(2-methoxy-4-pyridinyl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentane-1,2-diol;(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentane-1,2-diol;(3S)-1-methyl-3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentan-1-ol;4-[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]oxycyclohexan-1-ol;trans-(1S,3S)-3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentan-1-ol
CID 159738004
1-[4-[[2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one
CID 122470516
4-N-(1-methylpiperidin-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 112750428
2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-[(3R)-pyrrolidin-3-yl]thieno[3,2-d]pyrimidine-2,4-diamine
CID 122420545
1-[(3R)-3-[[2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one
CID 122470523
2-[4-[[4-(cyclohexylamino)thieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol
CID 155348465
tert-butyl N-[3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]carbamate
CID 160703519

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-[(4-hydroxy-4-methylcyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]pyrazol-1-yl]-2-piperidin-4-ylethanone?
The IUPAC name of 1-[4-[[4-[(4-hydroxy-4-methylcyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]pyrazol-1-yl]-2-piperidin-4-ylethanone (CID 159427998) is 1-[4-[[4-[(4-hydroxy-4-methylcyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]pyrazol-1-yl]-2-piperidin-4-ylethanone.
What is the SMILES notation for 1-[4-[[4-[(4-hydroxy-4-methylcyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]pyrazol-1-yl]-2-piperidin-4-ylethanone?
The canonical SMILES for 1-[4-[[4-[(4-hydroxy-4-methylcyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]pyrazol-1-yl]-2-piperidin-4-ylethanone is CC1(O)CCC(Nc2nc(Cc3cnn(C(=O)CC4CCNCC4)c3)nc3ccsc23)CC1.
What is the InChIKey of 1-[4-[[4-[(4-hydroxy-4-methylcyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]pyrazol-1-yl]-2-piperidin-4-ylethanone?
The InChIKey is LQPQFGUETLCYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O2S/c1-24(32)7-2-18(3-8-24)27-23-22-19(6-11-33-22)28-20(29-23)12-17-14-26-30(15-17)21(31)13-16-4-9-25-10-5-16/h6,11,14-16,18,25,32H,2-5,7-10,12-13H2,1H3,(H,27,28,29).
What are the key properties of 1-[4-[[4-[(4-hydroxy-4-methylcyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]pyrazol-1-yl]-2-piperidin-4-ylethanone?
1-[4-[[4-[(4-hydroxy-4-methylcyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]pyrazol-1-yl]-2-piperidin-4-ylethanone has a molecular weight of 468.63 g/mol, XLogP of 3.61, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-[(4-hydroxy-4-methylcyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]pyrazol-1-yl]-2-piperidin-4-ylethanone is sourced from PubChem (CID 159427998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).