[6-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)pyrazin-2-yl]-piperazin-1-ylmethanone

C16H17N7O — CID 66555424

IUPAC[6-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)pyrazin-2-yl]-piperazin-1-ylmethanone
SMILESCc1[nH]nc2ncc(-c3cncc(C(=O)N4CCNCC4)n3)cc12
InChIInChI=1S/C16H17N7O/c1-10-12-6-11(7-19-15(12)22-21-10)13-8-18-9-14(20-13)16(24)23-4-2-17-3-5-23/h6-9,17H,2-5H2,1H3,(H,19,21,22)
InChIKeyDCBIBQHLTJNYHY-UHFFFAOYSA-N
MW323.36 g/mol
LogP0.77
Rot. Bonds2

About [6-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)pyrazin-2-yl]-piperazin-1-ylmethanone

[6-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)pyrazin-2-yl]-piperazin-1-ylmethanone (PubChem CID 66555424) has the molecular formula C16H17N7O and a molecular weight of 323.36 g/mol. Its IUPAC name is [6-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)pyrazin-2-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[6-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)pyrazin-2-yl]-piperazin-1-ylmethanone
PubChem CID66555424
Molecular FormulaC16H17N7O
Molecular Weight323.36 g/mol
Exact Mass323.15
IUPAC Name[6-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)pyrazin-2-yl]-piperazin-1-ylmethanone
SMILESCc1[nH]nc2ncc(-c3cncc(C(=O)N4CCNCC4)n3)cc12
InChIInChI=1S/C16H17N7O/c1-10-12-6-11(7-19-15(12)22-21-10)13-8-18-9-14(20-13)16(24)23-4-2-17-3-5-23/h6-9,17H,2-5H2,1H3,(H,19,21,22)
InChIKeyDCBIBQHLTJNYHY-UHFFFAOYSA-N
XLogP0.77
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)pyrazin-2-yl]-piperazin-1-ylmethanone?
The IUPAC name of [6-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)pyrazin-2-yl]-piperazin-1-ylmethanone (CID 66555424) is [6-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)pyrazin-2-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [6-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)pyrazin-2-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [6-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)pyrazin-2-yl]-piperazin-1-ylmethanone is Cc1[nH]nc2ncc(-c3cncc(C(=O)N4CCNCC4)n3)cc12.
What is the InChIKey of [6-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)pyrazin-2-yl]-piperazin-1-ylmethanone?
The InChIKey is DCBIBQHLTJNYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O/c1-10-12-6-11(7-19-15(12)22-21-10)13-8-18-9-14(20-13)16(24)23-4-2-17-3-5-23/h6-9,17H,2-5H2,1H3,(H,19,21,22).
What are the key properties of [6-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)pyrazin-2-yl]-piperazin-1-ylmethanone?
[6-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)pyrazin-2-yl]-piperazin-1-ylmethanone has a molecular weight of 323.36 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)pyrazin-2-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 66555424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).