2-[2-(2-methyl-1H-indol-5-yl)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

C20H17N5O — CID 59723142

IUPAC2-[2-(2-methyl-1H-indol-5-yl)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cc2cc(-c3cc(-c4cc5n(n4)CCNC5=O)ccn3)ccc2[nH]1
InChIInChI=1S/C20H17N5O/c1-12-8-15-9-13(2-3-16(15)23-12)17-10-14(4-5-21-17)18-11-19-20(26)22-6-7-25(19)24-18/h2-5,8-11,23H,6-7H2,1H3,(H,22,26)
InChIKeyOATGGFQZTBOXID-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.15
Rot. Bonds2

About 2-[2-(2-methyl-1H-indol-5-yl)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

2-[2-(2-methyl-1H-indol-5-yl)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 59723142) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-[2-(2-methyl-1H-indol-5-yl)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-[2-(2-methyl-1H-indol-5-yl)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID59723142
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name2-[2-(2-methyl-1H-indol-5-yl)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cc2cc(-c3cc(-c4cc5n(n4)CCNC5=O)ccn3)ccc2[nH]1
InChIInChI=1S/C20H17N5O/c1-12-8-15-9-13(2-3-16(15)23-12)17-10-14(4-5-21-17)18-11-19-20(26)22-6-7-25(19)24-18/h2-5,8-11,23H,6-7H2,1H3,(H,22,26)
InChIKeyOATGGFQZTBOXID-UHFFFAOYSA-N
XLogP3.15
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methyl-1H-indol-5-yl)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-[2-(2-methyl-1H-indol-5-yl)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 59723142) is 2-[2-(2-methyl-1H-indol-5-yl)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-[2-(2-methyl-1H-indol-5-yl)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-[2-(2-methyl-1H-indol-5-yl)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is Cc1cc2cc(-c3cc(-c4cc5n(n4)CCNC5=O)ccn3)ccc2[nH]1.
What is the InChIKey of 2-[2-(2-methyl-1H-indol-5-yl)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is OATGGFQZTBOXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-12-8-15-9-13(2-3-16(15)23-12)17-10-14(4-5-21-17)18-11-19-20(26)22-6-7-25(19)24-18/h2-5,8-11,23H,6-7H2,1H3,(H,22,26).
What are the key properties of 2-[2-(2-methyl-1H-indol-5-yl)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
2-[2-(2-methyl-1H-indol-5-yl)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 343.39 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methyl-1H-indol-5-yl)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 59723142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).