1-[(7R)-7-ethyl-7-hydroxy-5,6-dihydrocyclopenta[b]pyridin-2-yl]-6-methyl-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one

C19H23N5O2 — CID 170000740

IUPAC1-[(7R)-7-ethyl-7-hydroxy-5,6-dihydrocyclopenta[b]pyridin-2-yl]-6-methyl-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one
SMILESCC[C@@]1(O)CCc2ccc(-n3c4nc(C)ncc4c(=O)n3C(C)C)nc21
InChIInChI=1S/C19H23N5O2/c1-5-19(26)9-8-13-6-7-15(22-16(13)19)24-17-14(10-20-12(4)21-17)18(25)23(24)11(2)3/h6-7,10-11,26H,5,8-9H2,1-4H3/t19-/m1/s1
InChIKeyWNAQWSRDTXTMJO-LJQANCHMSA-N
MW353.43 g/mol
LogP2.41
Rot. Bonds3

About 1-[(7R)-7-ethyl-7-hydroxy-5,6-dihydrocyclopenta[b]pyridin-2-yl]-6-methyl-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one

1-[(7R)-7-ethyl-7-hydroxy-5,6-dihydrocyclopenta[b]pyridin-2-yl]-6-methyl-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one (PubChem CID 170000740) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 1-[(7R)-7-ethyl-7-hydroxy-5,6-dihydrocyclopenta[b]pyridin-2-yl]-6-methyl-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one.

Molecular Properties

Compound Name1-[(7R)-7-ethyl-7-hydroxy-5,6-dihydrocyclopenta[b]pyridin-2-yl]-6-methyl-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one
PubChem CID170000740
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name1-[(7R)-7-ethyl-7-hydroxy-5,6-dihydrocyclopenta[b]pyridin-2-yl]-6-methyl-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one
SMILESCC[C@@]1(O)CCc2ccc(-n3c4nc(C)ncc4c(=O)n3C(C)C)nc21
InChIInChI=1S/C19H23N5O2/c1-5-19(26)9-8-13-6-7-15(22-16(13)19)24-17-14(10-20-12(4)21-17)18(25)23(24)11(2)3/h6-7,10-11,26H,5,8-9H2,1-4H3/t19-/m1/s1
InChIKeyWNAQWSRDTXTMJO-LJQANCHMSA-N
XLogP2.41
TPSA85.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(7R)-7-ethyl-7-hydroxy-5,6-dihydrocyclopenta[b]pyridin-2-yl]-6-methyl-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one?
The IUPAC name of 1-[(7R)-7-ethyl-7-hydroxy-5,6-dihydrocyclopenta[b]pyridin-2-yl]-6-methyl-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one (CID 170000740) is 1-[(7R)-7-ethyl-7-hydroxy-5,6-dihydrocyclopenta[b]pyridin-2-yl]-6-methyl-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one.
What is the SMILES notation for 1-[(7R)-7-ethyl-7-hydroxy-5,6-dihydrocyclopenta[b]pyridin-2-yl]-6-methyl-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one?
The canonical SMILES for 1-[(7R)-7-ethyl-7-hydroxy-5,6-dihydrocyclopenta[b]pyridin-2-yl]-6-methyl-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one is CC[C@@]1(O)CCc2ccc(-n3c4nc(C)ncc4c(=O)n3C(C)C)nc21.
What is the InChIKey of 1-[(7R)-7-ethyl-7-hydroxy-5,6-dihydrocyclopenta[b]pyridin-2-yl]-6-methyl-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one?
The InChIKey is WNAQWSRDTXTMJO-LJQANCHMSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-5-19(26)9-8-13-6-7-15(22-16(13)19)24-17-14(10-20-12(4)21-17)18(25)23(24)11(2)3/h6-7,10-11,26H,5,8-9H2,1-4H3/t19-/m1/s1.
What are the key properties of 1-[(7R)-7-ethyl-7-hydroxy-5,6-dihydrocyclopenta[b]pyridin-2-yl]-6-methyl-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one?
1-[(7R)-7-ethyl-7-hydroxy-5,6-dihydrocyclopenta[b]pyridin-2-yl]-6-methyl-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one has a molecular weight of 353.43 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7R)-7-ethyl-7-hydroxy-5,6-dihydrocyclopenta[b]pyridin-2-yl]-6-methyl-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one is sourced from PubChem (CID 170000740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).