6-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one

C14H14N4O — CID 50955964

IUPAC6-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESO=C1c2cccnc2CN1Cc1n[nH]c2c1CCC2
InChIInChI=1S/C14H14N4O/c19-14-10-4-2-6-15-12(10)7-18(14)8-13-9-3-1-5-11(9)16-17-13/h2,4,6H,1,3,5,7-8H2,(H,16,17)
InChIKeyABKHLTVWOXIKNG-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.45
Rot. Bonds2

About 6-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one

6-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 50955964) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 6-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name6-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID50955964
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name6-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESO=C1c2cccnc2CN1Cc1n[nH]c2c1CCC2
InChIInChI=1S/C14H14N4O/c19-14-10-4-2-6-15-12(10)7-18(14)8-13-9-3-1-5-11(9)16-17-13/h2,4,6H,1,3,5,7-8H2,(H,16,17)
InChIKeyABKHLTVWOXIKNG-UHFFFAOYSA-N
XLogP1.45
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 6-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one (CID 50955964) is 6-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 6-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 6-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one is O=C1c2cccnc2CN1Cc1n[nH]c2c1CCC2.
What is the InChIKey of 6-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is ABKHLTVWOXIKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c19-14-10-4-2-6-15-12(10)7-18(14)8-13-9-3-1-5-11(9)16-17-13/h2,4,6H,1,3,5,7-8H2,(H,16,17).
What are the key properties of 6-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
6-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 254.29 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 50955964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).