3-[4-(2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyrazol-1-yl]propan-1-ol

C17H16N6O — CID 118275156

IUPAC3-[4-(2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyrazol-1-yl]propan-1-ol
SMILESOCCCn1cc(-c2c[nH]c3ncc(-c4ccncc4)nc23)cn1
InChIInChI=1S/C17H16N6O/c24-7-1-6-23-11-13(8-21-23)14-9-19-17-16(14)22-15(10-20-17)12-2-4-18-5-3-12/h2-5,8-11,24H,1,6-7H2,(H,19,20)
InChIKeyDGOMZHQCSJHCHC-UHFFFAOYSA-N
MW320.36 g/mol
LogP2.27
Rot. Bonds5

About 3-[4-(2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyrazol-1-yl]propan-1-ol

3-[4-(2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyrazol-1-yl]propan-1-ol (PubChem CID 118275156) has the molecular formula C17H16N6O and a molecular weight of 320.36 g/mol. Its IUPAC name is 3-[4-(2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyrazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-(2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyrazol-1-yl]propan-1-ol
PubChem CID118275156
Molecular FormulaC17H16N6O
Molecular Weight320.36 g/mol
Exact Mass320.14
IUPAC Name3-[4-(2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyrazol-1-yl]propan-1-ol
SMILESOCCCn1cc(-c2c[nH]c3ncc(-c4ccncc4)nc23)cn1
InChIInChI=1S/C17H16N6O/c24-7-1-6-23-11-13(8-21-23)14-9-19-17-16(14)22-15(10-20-17)12-2-4-18-5-3-12/h2-5,8-11,24H,1,6-7H2,(H,19,20)
InChIKeyDGOMZHQCSJHCHC-UHFFFAOYSA-N
XLogP2.27
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyrazol-1-yl]propan-1-ol?
The IUPAC name of 3-[4-(2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyrazol-1-yl]propan-1-ol (CID 118275156) is 3-[4-(2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyrazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-(2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyrazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-(2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyrazol-1-yl]propan-1-ol is OCCCn1cc(-c2c[nH]c3ncc(-c4ccncc4)nc23)cn1.
What is the InChIKey of 3-[4-(2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyrazol-1-yl]propan-1-ol?
The InChIKey is DGOMZHQCSJHCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O/c24-7-1-6-23-11-13(8-21-23)14-9-19-17-16(14)22-15(10-20-17)12-2-4-18-5-3-12/h2-5,8-11,24H,1,6-7H2,(H,19,20).
What are the key properties of 3-[4-(2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyrazol-1-yl]propan-1-ol?
3-[4-(2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyrazol-1-yl]propan-1-ol has a molecular weight of 320.36 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyrazol-1-yl]propan-1-ol is sourced from PubChem (CID 118275156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).