1-cyclopentyl-6-[(1R)-1-[(3R)-3-(2-methylphenoxy)pyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C23H29N5O2 — CID 135873814

IUPAC1-cyclopentyl-6-[(1R)-1-[(3R)-3-(2-methylphenoxy)pyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccccc1O[C@@H]1CCN([C@H](C)c2nc3c(cnn3C3CCCC3)c(=O)[nH]2)C1
InChIInChI=1S/C23H29N5O2/c1-15-7-3-6-10-20(15)30-18-11-12-27(14-18)16(2)21-25-22-19(23(29)26-21)13-24-28(22)17-8-4-5-9-17/h3,6-7,10,13,16-18H,4-5,8-9,11-12,14H2,1-2H3,(H,25,26,29)/t16-,18-/m1/s1
InChIKeyWACOUQHGZIVPDS-SJLPKXTDSA-N
MW407.52 g/mol
LogP3.76
Rot. Bonds5

About 1-cyclopentyl-6-[(1R)-1-[(3R)-3-(2-methylphenoxy)pyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-cyclopentyl-6-[(1R)-1-[(3R)-3-(2-methylphenoxy)pyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135873814) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 1-cyclopentyl-6-[(1R)-1-[(3R)-3-(2-methylphenoxy)pyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-cyclopentyl-6-[(1R)-1-[(3R)-3-(2-methylphenoxy)pyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135873814
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name1-cyclopentyl-6-[(1R)-1-[(3R)-3-(2-methylphenoxy)pyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccccc1O[C@@H]1CCN([C@H](C)c2nc3c(cnn3C3CCCC3)c(=O)[nH]2)C1
InChIInChI=1S/C23H29N5O2/c1-15-7-3-6-10-20(15)30-18-11-12-27(14-18)16(2)21-25-22-19(23(29)26-21)13-24-28(22)17-8-4-5-9-17/h3,6-7,10,13,16-18H,4-5,8-9,11-12,14H2,1-2H3,(H,25,26,29)/t16-,18-/m1/s1
InChIKeyWACOUQHGZIVPDS-SJLPKXTDSA-N
XLogP3.76
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-6-[(1R)-1-[(3R)-3-(2-methylphenoxy)pyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-cyclopentyl-6-[(1R)-1-[(3R)-3-(2-methylphenoxy)pyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135873814) is 1-cyclopentyl-6-[(1R)-1-[(3R)-3-(2-methylphenoxy)pyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-cyclopentyl-6-[(1R)-1-[(3R)-3-(2-methylphenoxy)pyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-cyclopentyl-6-[(1R)-1-[(3R)-3-(2-methylphenoxy)pyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is Cc1ccccc1O[C@@H]1CCN([C@H](C)c2nc3c(cnn3C3CCCC3)c(=O)[nH]2)C1.
What is the InChIKey of 1-cyclopentyl-6-[(1R)-1-[(3R)-3-(2-methylphenoxy)pyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is WACOUQHGZIVPDS-SJLPKXTDSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-15-7-3-6-10-20(15)30-18-11-12-27(14-18)16(2)21-25-22-19(23(29)26-21)13-24-28(22)17-8-4-5-9-17/h3,6-7,10,13,16-18H,4-5,8-9,11-12,14H2,1-2H3,(H,25,26,29)/t16-,18-/m1/s1.
What are the key properties of 1-cyclopentyl-6-[(1R)-1-[(3R)-3-(2-methylphenoxy)pyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-cyclopentyl-6-[(1R)-1-[(3R)-3-(2-methylphenoxy)pyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 407.52 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-6-[(1R)-1-[(3R)-3-(2-methylphenoxy)pyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135873814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).