1-cyclopentyl-6-[(1R)-1-[(3S,4R)-3-methoxy-4-phenylpyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C23H29N5O2 — CID 135873833

IUPAC1-cyclopentyl-6-[(1R)-1-[(3S,4R)-3-methoxy-4-phenylpyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCO[C@@H]1CN([C@H](C)c2nc3c(cnn3C3CCCC3)c(=O)[nH]2)C[C@H]1c1ccccc1
InChIInChI=1S/C23H29N5O2/c1-15(27-13-19(20(14-27)30-2)16-8-4-3-5-9-16)21-25-22-18(23(29)26-21)12-24-28(22)17-10-6-7-11-17/h3-5,8-9,12,15,17,19-20H,6-7,10-11,13-14H2,1-2H3,(H,25,26,29)/t15-,19+,20-/m1/s1
InChIKeyHTDSPXKQSHIXEO-UIAACRFSSA-N
MW407.52 g/mol
LogP3.41
Rot. Bonds5

About 1-cyclopentyl-6-[(1R)-1-[(3S,4R)-3-methoxy-4-phenylpyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-cyclopentyl-6-[(1R)-1-[(3S,4R)-3-methoxy-4-phenylpyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135873833) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 1-cyclopentyl-6-[(1R)-1-[(3S,4R)-3-methoxy-4-phenylpyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-cyclopentyl-6-[(1R)-1-[(3S,4R)-3-methoxy-4-phenylpyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135873833
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name1-cyclopentyl-6-[(1R)-1-[(3S,4R)-3-methoxy-4-phenylpyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCO[C@@H]1CN([C@H](C)c2nc3c(cnn3C3CCCC3)c(=O)[nH]2)C[C@H]1c1ccccc1
InChIInChI=1S/C23H29N5O2/c1-15(27-13-19(20(14-27)30-2)16-8-4-3-5-9-16)21-25-22-18(23(29)26-21)12-24-28(22)17-10-6-7-11-17/h3-5,8-9,12,15,17,19-20H,6-7,10-11,13-14H2,1-2H3,(H,25,26,29)/t15-,19+,20-/m1/s1
InChIKeyHTDSPXKQSHIXEO-UIAACRFSSA-N
XLogP3.41
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 ≤ 53.41
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-[(3S,4R)-3-methoxy-4-phenylpyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-cyclopentyl-6-[(1R)-1-[(3S,4R)-3-methoxy-4-phenylpyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135873833) is 1-cyclopentyl-6-[(1R)-1-[(3S,4R)-3-methoxy-4-phenylpyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-cyclopentyl-6-[(1R)-1-[(3S,4R)-3-methoxy-4-phenylpyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-cyclopentyl-6-[(1R)-1-[(3S,4R)-3-methoxy-4-phenylpyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is CO[C@@H]1CN([C@H](C)c2nc3c(cnn3C3CCCC3)c(=O)[nH]2)C[C@H]1c1ccccc1.
What is the InChIKey of 1-cyclopentyl-6-[(1R)-1-[(3S,4R)-3-methoxy-4-phenylpyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is HTDSPXKQSHIXEO-UIAACRFSSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-15(27-13-19(20(14-27)30-2)16-8-4-3-5-9-16)21-25-22-18(23(29)26-21)12-24-28(22)17-10-6-7-11-17/h3-5,8-9,12,15,17,19-20H,6-7,10-11,13-14H2,1-2H3,(H,25,26,29)/t15-,19+,20-/m1/s1.
What are the key properties of 1-cyclopentyl-6-[(1R)-1-[(3S,4R)-3-methoxy-4-phenylpyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-cyclopentyl-6-[(1R)-1-[(3S,4R)-3-methoxy-4-phenylpyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 407.52 g/mol, XLogP of 3.41, 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-[(3S,4R)-3-methoxy-4-phenylpyrrolidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135873833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).