(5R,7R)-4-[4-[2-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropyl]piperazin-1-yl]-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol

C26H37N5O2 — CID 151332956

IUPAC(5R,7R)-4-[4-[2-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropyl]piperazin-1-yl]-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol
SMILESCOc1ccc(C(CN2CCCC2)CN2CCN(c3ncnc4c3[C@H](C)C[C@H]4O)CC2)cc1
InChIInChI=1S/C26H37N5O2/c1-19-15-23(32)25-24(19)26(28-18-27-25)31-13-11-30(12-14-31)17-21(16-29-9-3-4-10-29)20-5-7-22(33-2)8-6-20/h5-8,18-19,21,23,32H,3-4,9-17H2,1-2H3/t19-,21?,23-/m1/s1
InChIKeyOIVQQYXFELPDDU-DICHZYRTSA-N
MW451.62 g/mol
LogP3.03
Rot. Bonds7

About (5R,7R)-4-[4-[2-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropyl]piperazin-1-yl]-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol

(5R,7R)-4-[4-[2-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropyl]piperazin-1-yl]-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol (PubChem CID 151332956) has the molecular formula C26H37N5O2 and a molecular weight of 451.62 g/mol. Its IUPAC name is (5R,7R)-4-[4-[2-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropyl]piperazin-1-yl]-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol.

Molecular Properties

Compound Name(5R,7R)-4-[4-[2-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropyl]piperazin-1-yl]-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol
PubChem CID151332956
Molecular FormulaC26H37N5O2
Molecular Weight451.62 g/mol
Exact Mass451.29
IUPAC Name(5R,7R)-4-[4-[2-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropyl]piperazin-1-yl]-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol
SMILESCOc1ccc(C(CN2CCCC2)CN2CCN(c3ncnc4c3[C@H](C)C[C@H]4O)CC2)cc1
InChIInChI=1S/C26H37N5O2/c1-19-15-23(32)25-24(19)26(28-18-27-25)31-13-11-30(12-14-31)17-21(16-29-9-3-4-10-29)20-5-7-22(33-2)8-6-20/h5-8,18-19,21,23,32H,3-4,9-17H2,1-2H3/t19-,21?,23-/m1/s1
InChIKeyOIVQQYXFELPDDU-DICHZYRTSA-N
XLogP3.03
TPSA64.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.62
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (5R,7R)-4-[4-[2-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropyl]piperazin-1-yl]-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol with MolForge

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Related Compounds

2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 59671068
(2S)-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(4-hydroxypiperidin-1-yl)propan-1-one
CID 59670930
(2S)-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 24789029
(7R)-4-(4-tert-butylpiperazin-1-yl)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol
CID 68735699
(2R)-3-(4-aminopiperidin-1-yl)-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 59671059
[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-methylborinic acid
CID 123308397
(2S)-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(methoxyamino)propan-1-one
CID 59671164
1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,4-diazepan-1-yl]ethanone
CID 58465363
(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
(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
(2S)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 59670736
2-(4-fluorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(methylamino)propan-1-one
CID 59670630

Frequently Asked Questions

What is the IUPAC name of (5R,7R)-4-[4-[2-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropyl]piperazin-1-yl]-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol?
The IUPAC name of (5R,7R)-4-[4-[2-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropyl]piperazin-1-yl]-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol (CID 151332956) is (5R,7R)-4-[4-[2-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropyl]piperazin-1-yl]-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol.
What is the SMILES notation for (5R,7R)-4-[4-[2-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropyl]piperazin-1-yl]-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol?
The canonical SMILES for (5R,7R)-4-[4-[2-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropyl]piperazin-1-yl]-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol is COc1ccc(C(CN2CCCC2)CN2CCN(c3ncnc4c3[C@H](C)C[C@H]4O)CC2)cc1.
What is the InChIKey of (5R,7R)-4-[4-[2-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropyl]piperazin-1-yl]-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol?
The InChIKey is OIVQQYXFELPDDU-DICHZYRTSA-N. The full InChI is InChI=1S/C26H37N5O2/c1-19-15-23(32)25-24(19)26(28-18-27-25)31-13-11-30(12-14-31)17-21(16-29-9-3-4-10-29)20-5-7-22(33-2)8-6-20/h5-8,18-19,21,23,32H,3-4,9-17H2,1-2H3/t19-,21?,23-/m1/s1.
What are the key properties of (5R,7R)-4-[4-[2-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropyl]piperazin-1-yl]-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol?
(5R,7R)-4-[4-[2-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropyl]piperazin-1-yl]-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol has a molecular weight of 451.62 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7R)-4-[4-[2-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropyl]piperazin-1-yl]-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol is sourced from PubChem (CID 151332956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).