6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazine-2-carbaldehyde

C20H18N8O — CID 141385310

IUPAC6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazine-2-carbaldehyde
SMILESO=Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCNCC3)n2)n1
InChIInChI=1S/C20H18N8O/c29-13-15-11-22-12-17(25-15)16-8-18-14(9-23-16)10-24-28(18)20-3-1-2-19(26-20)27-6-4-21-5-7-27/h1-3,8-13,21H,4-7H2
InChIKeyAPYDFJWMGDIFRL-UHFFFAOYSA-N
MW386.42 g/mol
LogP1.49
Rot. Bonds4

About 6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazine-2-carbaldehyde

6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazine-2-carbaldehyde (PubChem CID 141385310) has the molecular formula C20H18N8O and a molecular weight of 386.42 g/mol. Its IUPAC name is 6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazine-2-carbaldehyde.

Molecular Properties

Compound Name6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazine-2-carbaldehyde
PubChem CID141385310
Molecular FormulaC20H18N8O
Molecular Weight386.42 g/mol
Exact Mass386.16
IUPAC Name6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazine-2-carbaldehyde
SMILESO=Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCNCC3)n2)n1
InChIInChI=1S/C20H18N8O/c29-13-15-11-22-12-17(25-15)16-8-18-14(9-23-16)10-24-28(18)20-3-1-2-19(26-20)27-6-4-21-5-7-27/h1-3,8-13,21H,4-7H2
InChIKeyAPYDFJWMGDIFRL-UHFFFAOYSA-N
XLogP1.49
TPSA101.72 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazine-2-carbaldehyde?
The IUPAC name of 6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazine-2-carbaldehyde (CID 141385310) is 6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazine-2-carbaldehyde.
What is the SMILES notation for 6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazine-2-carbaldehyde?
The canonical SMILES for 6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazine-2-carbaldehyde is O=Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCNCC3)n2)n1.
What is the InChIKey of 6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazine-2-carbaldehyde?
The InChIKey is APYDFJWMGDIFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N8O/c29-13-15-11-22-12-17(25-15)16-8-18-14(9-23-16)10-24-28(18)20-3-1-2-19(26-20)27-6-4-21-5-7-27/h1-3,8-13,21H,4-7H2.
What are the key properties of 6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazine-2-carbaldehyde?
6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazine-2-carbaldehyde has a molecular weight of 386.42 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazine-2-carbaldehyde is sourced from PubChem (CID 141385310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).