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

C21H23N9O — CID 72714950

IUPAC2-[[6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]amino]ethanol
SMILESOCCNc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCNCC3)n2)n1
InChIInChI=1S/C21H23N9O/c31-9-6-24-19-14-23-13-17(27-19)16-10-18-15(11-25-16)12-26-30(18)21-3-1-2-20(28-21)29-7-4-22-5-8-29/h1-3,10-14,22,31H,4-9H2,(H,24,27)
InChIKeyOOWGEGYPCQGHJZ-UHFFFAOYSA-N
MW417.48 g/mol
LogP1.09
Rot. Bonds6

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

2-[[6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]amino]ethanol (PubChem CID 72714950) has the molecular formula C21H23N9O and a molecular weight of 417.48 g/mol. Its IUPAC name is 2-[[6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]amino]ethanol
PubChem CID72714950
Molecular FormulaC21H23N9O
Molecular Weight417.48 g/mol
Exact Mass417.20
IUPAC Name2-[[6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]amino]ethanol
SMILESOCCNc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCNCC3)n2)n1
InChIInChI=1S/C21H23N9O/c31-9-6-24-19-14-23-13-17(27-19)16-10-18-15(11-25-16)12-26-30(18)21-3-1-2-20(28-21)29-7-4-22-5-8-29/h1-3,10-14,22,31H,4-9H2,(H,24,27)
InChIKeyOOWGEGYPCQGHJZ-UHFFFAOYSA-N
XLogP1.09
TPSA116.91 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.48
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]amino]ethanol?
The IUPAC name of 2-[[6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]amino]ethanol (CID 72714950) is 2-[[6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]amino]ethanol is OCCNc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCNCC3)n2)n1.
What is the InChIKey of 2-[[6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]amino]ethanol?
The InChIKey is OOWGEGYPCQGHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N9O/c31-9-6-24-19-14-23-13-17(27-19)16-10-18-15(11-25-16)12-26-30(18)21-3-1-2-20(28-21)29-7-4-22-5-8-29/h1-3,10-14,22,31H,4-9H2,(H,24,27).
What are the key properties of 2-[[6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]amino]ethanol?
2-[[6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]amino]ethanol has a molecular weight of 417.48 g/mol, XLogP of 1.09, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-yl]amino]ethanol is sourced from PubChem (CID 72714950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).