(2S)-2-(4-cyclopropylphenyl)-2-[(2S)-1-ethylpyrrolidin-2-yl]-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethanone

C29H39N5O2 — CID 25171611

IUPAC(2S)-2-(4-cyclopropylphenyl)-2-[(2S)-1-ethylpyrrolidin-2-yl]-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESCCN1CCC[C@H]1[C@@H](C(=O)N1CCN(c2ncnc3c2[C@H](C)C[C@H]3O)CC1)c1ccc(C2CC2)cc1
InChIInChI=1S/C29H39N5O2/c1-3-32-12-4-5-23(32)26(22-10-8-21(9-11-22)20-6-7-20)29(36)34-15-13-33(14-16-34)28-25-19(2)17-24(35)27(25)30-18-31-28/h8-11,18-20,23-24,26,35H,3-7,12-17H2,1-2H3/t19-,23+,24-,26+/m1/s1
InChIKeyBJLNTTHYSROJML-XVZHEKKHSA-N
MW489.66 g/mol
LogP3.81
Rot. Bonds6

About (2S)-2-(4-cyclopropylphenyl)-2-[(2S)-1-ethylpyrrolidin-2-yl]-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethanone

(2S)-2-(4-cyclopropylphenyl)-2-[(2S)-1-ethylpyrrolidin-2-yl]-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethanone (PubChem CID 25171611) has the molecular formula C29H39N5O2 and a molecular weight of 489.66 g/mol. Its IUPAC name is (2S)-2-(4-cyclopropylphenyl)-2-[(2S)-1-ethylpyrrolidin-2-yl]-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name(2S)-2-(4-cyclopropylphenyl)-2-[(2S)-1-ethylpyrrolidin-2-yl]-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethanone
PubChem CID25171611
Molecular FormulaC29H39N5O2
Molecular Weight489.66 g/mol
Exact Mass489.31
IUPAC Name(2S)-2-(4-cyclopropylphenyl)-2-[(2S)-1-ethylpyrrolidin-2-yl]-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESCCN1CCC[C@H]1[C@@H](C(=O)N1CCN(c2ncnc3c2[C@H](C)C[C@H]3O)CC1)c1ccc(C2CC2)cc1
InChIInChI=1S/C29H39N5O2/c1-3-32-12-4-5-23(32)26(22-10-8-21(9-11-22)20-6-7-20)29(36)34-15-13-33(14-16-34)28-25-19(2)17-24(35)27(25)30-18-31-28/h8-11,18-20,23-24,26,35H,3-7,12-17H2,1-2H3/t19-,23+,24-,26+/m1/s1
InChIKeyBJLNTTHYSROJML-XVZHEKKHSA-N
XLogP3.81
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.66
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-2-(4-cyclopropylphenyl)-2-[(2S)-1-ethylpyrrolidin-2-yl]-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-cyclopropylphenyl)-2-[(2S)-1-ethylpyrrolidin-2-yl]-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethanone?
The IUPAC name of (2S)-2-(4-cyclopropylphenyl)-2-[(2S)-1-ethylpyrrolidin-2-yl]-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethanone (CID 25171611) is (2S)-2-(4-cyclopropylphenyl)-2-[(2S)-1-ethylpyrrolidin-2-yl]-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for (2S)-2-(4-cyclopropylphenyl)-2-[(2S)-1-ethylpyrrolidin-2-yl]-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethanone?
The canonical SMILES for (2S)-2-(4-cyclopropylphenyl)-2-[(2S)-1-ethylpyrrolidin-2-yl]-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethanone is CCN1CCC[C@H]1[C@@H](C(=O)N1CCN(c2ncnc3c2[C@H](C)C[C@H]3O)CC1)c1ccc(C2CC2)cc1.
What is the InChIKey of (2S)-2-(4-cyclopropylphenyl)-2-[(2S)-1-ethylpyrrolidin-2-yl]-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethanone?
The InChIKey is BJLNTTHYSROJML-XVZHEKKHSA-N. The full InChI is InChI=1S/C29H39N5O2/c1-3-32-12-4-5-23(32)26(22-10-8-21(9-11-22)20-6-7-20)29(36)34-15-13-33(14-16-34)28-25-19(2)17-24(35)27(25)30-18-31-28/h8-11,18-20,23-24,26,35H,3-7,12-17H2,1-2H3/t19-,23+,24-,26+/m1/s1.
What are the key properties of (2S)-2-(4-cyclopropylphenyl)-2-[(2S)-1-ethylpyrrolidin-2-yl]-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethanone?
(2S)-2-(4-cyclopropylphenyl)-2-[(2S)-1-ethylpyrrolidin-2-yl]-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethanone has a molecular weight of 489.66 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-cyclopropylphenyl)-2-[(2S)-1-ethylpyrrolidin-2-yl]-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 25171611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).