1-[6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]ethane-1,2-diol

C21H22N8O2 — CID 72714948

IUPAC1-[6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]ethane-1,2-diol
SMILESOCC(O)c1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCNCC3)n2)n1
InChIInChI=1S/C21H22N8O2/c30-13-19(31)17-12-23-11-16(26-17)15-8-18-14(9-24-15)10-25-29(18)21-3-1-2-20(27-21)28-6-4-22-5-7-28/h1-3,8-12,19,22,30-31H,4-7,13H2
InChIKeyMFWAZGZFSFQQCU-UHFFFAOYSA-N
MW418.46 g/mol
LogP0.71
Rot. Bonds5

About 1-[6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]ethane-1,2-diol

1-[6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]ethane-1,2-diol (PubChem CID 72714948) has the molecular formula C21H22N8O2 and a molecular weight of 418.46 g/mol. Its IUPAC name is 1-[6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]ethane-1,2-diol
PubChem CID72714948
Molecular FormulaC21H22N8O2
Molecular Weight418.46 g/mol
Exact Mass418.19
IUPAC Name1-[6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]ethane-1,2-diol
SMILESOCC(O)c1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCNCC3)n2)n1
InChIInChI=1S/C21H22N8O2/c30-13-19(31)17-12-23-11-16(26-17)15-8-18-14(9-24-15)10-25-29(18)21-3-1-2-20(27-21)28-6-4-22-5-7-28/h1-3,8-12,19,22,30-31H,4-7,13H2
InChIKeyMFWAZGZFSFQQCU-UHFFFAOYSA-N
XLogP0.71
TPSA125.11 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]ethane-1,2-diol?
The IUPAC name of 1-[6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]ethane-1,2-diol (CID 72714948) is 1-[6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]ethane-1,2-diol.
What is the SMILES notation for 1-[6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]ethane-1,2-diol?
The canonical SMILES for 1-[6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]ethane-1,2-diol is OCC(O)c1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCNCC3)n2)n1.
What is the InChIKey of 1-[6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]ethane-1,2-diol?
The InChIKey is MFWAZGZFSFQQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8O2/c30-13-19(31)17-12-23-11-16(26-17)15-8-18-14(9-24-15)10-25-29(18)21-3-1-2-20(27-21)28-6-4-22-5-7-28/h1-3,8-12,19,22,30-31H,4-7,13H2.
What are the key properties of 1-[6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]ethane-1,2-diol?
1-[6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]ethane-1,2-diol has a molecular weight of 418.46 g/mol, XLogP of 0.71, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]ethane-1,2-diol is sourced from PubChem (CID 72714948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).