5-[4-(5-hydroxy-6-methyl-2-pyridinyl)benzoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile

C20H17N5O2 — CID 162633120

IUPAC5-[4-(5-hydroxy-6-methyl-2-pyridinyl)benzoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile
SMILESCc1nc(-c2ccc(C(=O)N3CCn4nc(C#N)cc4C3)cc2)ccc1O
InChIInChI=1S/C20H17N5O2/c1-13-19(26)7-6-18(22-13)14-2-4-15(5-3-14)20(27)24-8-9-25-17(12-24)10-16(11-21)23-25/h2-7,10,26H,8-9,12H2,1H3
InChIKeyPAHUDBYEESSODO-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.49
Rot. Bonds2

About 5-[4-(5-hydroxy-6-methyl-2-pyridinyl)benzoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile

5-[4-(5-hydroxy-6-methyl-2-pyridinyl)benzoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile (PubChem CID 162633120) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 5-[4-(5-hydroxy-6-methyl-2-pyridinyl)benzoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[4-(5-hydroxy-6-methyl-2-pyridinyl)benzoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile
PubChem CID162633120
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name5-[4-(5-hydroxy-6-methyl-2-pyridinyl)benzoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile
SMILESCc1nc(-c2ccc(C(=O)N3CCn4nc(C#N)cc4C3)cc2)ccc1O
InChIInChI=1S/C20H17N5O2/c1-13-19(26)7-6-18(22-13)14-2-4-15(5-3-14)20(27)24-8-9-25-17(12-24)10-16(11-21)23-25/h2-7,10,26H,8-9,12H2,1H3
InChIKeyPAHUDBYEESSODO-UHFFFAOYSA-N
XLogP2.49
TPSA95.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(5-hydroxy-6-methyl-2-pyridinyl)benzoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile?
The IUPAC name of 5-[4-(5-hydroxy-6-methyl-2-pyridinyl)benzoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile (CID 162633120) is 5-[4-(5-hydroxy-6-methyl-2-pyridinyl)benzoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[4-(5-hydroxy-6-methyl-2-pyridinyl)benzoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[4-(5-hydroxy-6-methyl-2-pyridinyl)benzoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile is Cc1nc(-c2ccc(C(=O)N3CCn4nc(C#N)cc4C3)cc2)ccc1O.
What is the InChIKey of 5-[4-(5-hydroxy-6-methyl-2-pyridinyl)benzoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile?
The InChIKey is PAHUDBYEESSODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-13-19(26)7-6-18(22-13)14-2-4-15(5-3-14)20(27)24-8-9-25-17(12-24)10-16(11-21)23-25/h2-7,10,26H,8-9,12H2,1H3.
What are the key properties of 5-[4-(5-hydroxy-6-methyl-2-pyridinyl)benzoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile?
5-[4-(5-hydroxy-6-methyl-2-pyridinyl)benzoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile has a molecular weight of 359.39 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(5-hydroxy-6-methyl-2-pyridinyl)benzoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile is sourced from PubChem (CID 162633120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).