2-(2,4-dichlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one

C24H33Cl2N5O2 — CID 163972445

IUPAC2-(2,4-dichlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one
SMILESCC(C)NCC(C(=O)N1CCN(C2N=CNC3=C2[C@H](C)C[C@H]3O)CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C24H33Cl2N5O2/c1-14(2)27-12-18(17-5-4-16(25)11-19(17)26)24(33)31-8-6-30(7-9-31)23-21-15(3)10-20(32)22(21)28-13-29-23/h4-5,11,13-15,18,20,23,27,32H,6-10,12H2,1-3H3,(H,28,29)/t15-,18?,20-,23?/m1/s1
InChIKeySREFDKQYBCCBMR-OTJZQNOXSA-N
MW494.47 g/mol
LogP2.83
Rot. Bonds6

About 2-(2,4-dichlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one

2-(2,4-dichlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one (PubChem CID 163972445) has the molecular formula C24H33Cl2N5O2 and a molecular weight of 494.47 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one
PubChem CID163972445
Molecular FormulaC24H33Cl2N5O2
Molecular Weight494.47 g/mol
Exact Mass493.20
IUPAC Name2-(2,4-dichlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one
SMILESCC(C)NCC(C(=O)N1CCN(C2N=CNC3=C2[C@H](C)C[C@H]3O)CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C24H33Cl2N5O2/c1-14(2)27-12-18(17-5-4-16(25)11-19(17)26)24(33)31-8-6-30(7-9-31)23-21-15(3)10-20(32)22(21)28-13-29-23/h4-5,11,13-15,18,20,23,27,32H,6-10,12H2,1-3H3,(H,28,29)/t15-,18?,20-,23?/m1/s1
InChIKeySREFDKQYBCCBMR-OTJZQNOXSA-N
XLogP2.83
TPSA80.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.47
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-(2,4-dichlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-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

(2S)-2-(2,4-dichlorophenyl)-1-[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one
CID 67339358
1-[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-2-(2,4-dichlorophenyl)-3-(propan-2-ylamino)propan-1-one;hydrochloride
CID 141459372
(2R)-2-(4-chlorophenyl)-1-[4-[(5S,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one
CID 124565372
(2R)-2-(4-chlorophenyl)-1-[4-[(5R,7S)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one
CID 124560021
1-[4-[6-amino-5-(methoxyiminomethyl)pyrimidin-4-yl]piperazin-1-yl]-2-(2,4-dichlorophenyl)-3-(propan-2-ylamino)propan-1-one
CID 141459405
(2S)-2-(4-chlorophenyl)-1-[4-[(5R,7S)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;dihydrochloride
CID 70678250
1-[4-[6-amino-5-(methoxyiminomethyl)pyrimidin-4-yl]piperazin-1-yl]-2-(2,4-dichlorophenyl)-3-(propan-2-ylamino)propan-1-one;hydrochloride
CID 141459404
2-(4-bromo-2-fluorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one
CID 66618214
(2S)-2-(4-bromo-2-fluorophenyl)-1-[4-[(5R,7S)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one
CID 59670661
(2S)-2-[3-fluoro-4-(trifluoromethyl)phenyl]-1-[4-[(4R,6S)-6-hydroxy-4-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one
CID 70810661
2-[3-fluoro-4-(trifluoromethyl)phenyl]-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one
CID 66618158
(2S)-2-[3-fluoro-4-(trifluoromethyl)phenyl]-1-[4-[(3S,5R)-3-hydroxy-5-methyl-2-(methylamino)cyclopentene-1-carboximidoyl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one
CID 136624644

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one (CID 163972445) is 2-(2,4-dichlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one is CC(C)NCC(C(=O)N1CCN(C2N=CNC3=C2[C@H](C)C[C@H]3O)CC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one?
The InChIKey is SREFDKQYBCCBMR-OTJZQNOXSA-N. The full InChI is InChI=1S/C24H33Cl2N5O2/c1-14(2)27-12-18(17-5-4-16(25)11-19(17)26)24(33)31-8-6-30(7-9-31)23-21-15(3)10-20(32)22(21)28-13-29-23/h4-5,11,13-15,18,20,23,27,32H,6-10,12H2,1-3H3,(H,28,29)/t15-,18?,20-,23?/m1/s1.
What are the key properties of 2-(2,4-dichlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one?
2-(2,4-dichlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one has a molecular weight of 494.47 g/mol, XLogP of 2.83, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one is sourced from PubChem (CID 163972445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).