[(2R)-3-(4-chlorophenyl)-1-[(3S)-4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]-1-oxopropan-2-yl]carbamic acid

C23H28ClN5O4 — CID 68884130

IUPAC[(2R)-3-(4-chlorophenyl)-1-[(3S)-4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]-1-oxopropan-2-yl]carbamic acid
SMILESC[C@@H]1C[C@@H](O)c2ncnc(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4)NC(=O)O)C[C@@H]3C)c21
InChIInChI=1S/C23H28ClN5O4/c1-13-9-18(30)20-19(13)21(26-12-25-20)29-8-7-28(11-14(29)2)22(31)17(27-23(32)33)10-15-3-5-16(24)6-4-15/h3-6,12-14,17-18,27,30H,7-11H2,1-2H3,(H,32,33)/t13-,14+,17-,18-/m1/s1
InChIKeyXVUMWKHGWFFXCP-LTCOOKNTSA-N
MW473.96 g/mol
LogP2.59
Rot. Bonds5

About [(2R)-3-(4-chlorophenyl)-1-[(3S)-4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]-1-oxopropan-2-yl]carbamic acid

[(2R)-3-(4-chlorophenyl)-1-[(3S)-4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]-1-oxopropan-2-yl]carbamic acid (PubChem CID 68884130) has the molecular formula C23H28ClN5O4 and a molecular weight of 473.96 g/mol. Its IUPAC name is [(2R)-3-(4-chlorophenyl)-1-[(3S)-4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]-1-oxopropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2R)-3-(4-chlorophenyl)-1-[(3S)-4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]-1-oxopropan-2-yl]carbamic acid
PubChem CID68884130
Molecular FormulaC23H28ClN5O4
Molecular Weight473.96 g/mol
Exact Mass473.18
IUPAC Name[(2R)-3-(4-chlorophenyl)-1-[(3S)-4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]-1-oxopropan-2-yl]carbamic acid
SMILESC[C@@H]1C[C@@H](O)c2ncnc(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4)NC(=O)O)C[C@@H]3C)c21
InChIInChI=1S/C23H28ClN5O4/c1-13-9-18(30)20-19(13)21(26-12-25-20)29-8-7-28(11-14(29)2)22(31)17(27-23(32)33)10-15-3-5-16(24)6-4-15/h3-6,12-14,17-18,27,30H,7-11H2,1-2H3,(H,32,33)/t13-,14+,17-,18-/m1/s1
InChIKeyXVUMWKHGWFFXCP-LTCOOKNTSA-N
XLogP2.59
TPSA118.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.96
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [(2R)-3-(4-chlorophenyl)-1-[(3S)-4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]-1-oxopropan-2-yl]carbamic acid with MolForge

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Related Compounds

(2R)-2-amino-3-(4-chloro-3-fluorophenyl)-1-[(3S)-4-[(5R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]propan-1-one
CID 59670795
[(2R)-2-(4-chlorophenyl)-3-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropyl]carbamic acid
CID 68847077
(2S)-2-(5-chlorothiophen-2-yl)-1-[(3S)-4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]ethanone
CID 25172034
2-amino-3-(4-chlorophenyl)-1-[(3S)-3-methyl-4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 154558500
(2S)-3-amino-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 59671144
3-amino-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 66618292
ethyl 2-[4-[2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]-1-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-2-yl]acetate;hydrochloride
CID 118952383
(2R)-2-(4-chlorophenyl)-4-(dimethylamino)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]butan-1-one
CID 59670853
(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
2-amino-3-(3,4-dichlorophenyl)-1-[4-[(5R,7S)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 66618146
2-amino-3-(3,4-dichlorophenyl)-1-[4-[(5S,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 122462087

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-(4-chlorophenyl)-1-[(3S)-4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]-1-oxopropan-2-yl]carbamic acid?
The IUPAC name of [(2R)-3-(4-chlorophenyl)-1-[(3S)-4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]-1-oxopropan-2-yl]carbamic acid (CID 68884130) is [(2R)-3-(4-chlorophenyl)-1-[(3S)-4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]-1-oxopropan-2-yl]carbamic acid.
What is the SMILES notation for [(2R)-3-(4-chlorophenyl)-1-[(3S)-4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]-1-oxopropan-2-yl]carbamic acid?
The canonical SMILES for [(2R)-3-(4-chlorophenyl)-1-[(3S)-4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]-1-oxopropan-2-yl]carbamic acid is C[C@@H]1C[C@@H](O)c2ncnc(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4)NC(=O)O)C[C@@H]3C)c21.
What is the InChIKey of [(2R)-3-(4-chlorophenyl)-1-[(3S)-4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]-1-oxopropan-2-yl]carbamic acid?
The InChIKey is XVUMWKHGWFFXCP-LTCOOKNTSA-N. The full InChI is InChI=1S/C23H28ClN5O4/c1-13-9-18(30)20-19(13)21(26-12-25-20)29-8-7-28(11-14(29)2)22(31)17(27-23(32)33)10-15-3-5-16(24)6-4-15/h3-6,12-14,17-18,27,30H,7-11H2,1-2H3,(H,32,33)/t13-,14+,17-,18-/m1/s1.
What are the key properties of [(2R)-3-(4-chlorophenyl)-1-[(3S)-4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]-1-oxopropan-2-yl]carbamic acid?
[(2R)-3-(4-chlorophenyl)-1-[(3S)-4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]-1-oxopropan-2-yl]carbamic acid has a molecular weight of 473.96 g/mol, XLogP of 2.59, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-(4-chlorophenyl)-1-[(3S)-4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]-1-oxopropan-2-yl]carbamic acid is sourced from PubChem (CID 68884130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).