3-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazin-5-yl]oxypropane-1,2-diol

C16H15N5O3 — CID 138491168

IUPAC3-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazin-5-yl]oxypropane-1,2-diol
SMILESOCC(O)COc1cnn2ncc(-c3ccnc4[nH]ccc34)c2c1
InChIInChI=1S/C16H15N5O3/c22-8-10(23)9-24-11-5-15-14(7-20-21(15)19-6-11)12-1-3-17-16-13(12)2-4-18-16/h1-7,10,22-23H,8-9H2,(H,17,18)
InChIKeyDOTQQXIKDOWYKJ-UHFFFAOYSA-N
MW325.33 g/mol
LogP1.00
Rot. Bonds5

About 3-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazin-5-yl]oxypropane-1,2-diol

3-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazin-5-yl]oxypropane-1,2-diol (PubChem CID 138491168) has the molecular formula C16H15N5O3 and a molecular weight of 325.33 g/mol. Its IUPAC name is 3-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazin-5-yl]oxypropane-1,2-diol.

Molecular Properties

Compound Name3-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazin-5-yl]oxypropane-1,2-diol
PubChem CID138491168
Molecular FormulaC16H15N5O3
Molecular Weight325.33 g/mol
Exact Mass325.12
IUPAC Name3-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazin-5-yl]oxypropane-1,2-diol
SMILESOCC(O)COc1cnn2ncc(-c3ccnc4[nH]ccc34)c2c1
InChIInChI=1S/C16H15N5O3/c22-8-10(23)9-24-11-5-15-14(7-20-21(15)19-6-11)12-1-3-17-16-13(12)2-4-18-16/h1-7,10,22-23H,8-9H2,(H,17,18)
InChIKeyDOTQQXIKDOWYKJ-UHFFFAOYSA-N
XLogP1.00
TPSA108.56 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazin-5-yl]oxypropane-1,2-diol?
The IUPAC name of 3-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazin-5-yl]oxypropane-1,2-diol (CID 138491168) is 3-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazin-5-yl]oxypropane-1,2-diol.
What is the SMILES notation for 3-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazin-5-yl]oxypropane-1,2-diol?
The canonical SMILES for 3-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazin-5-yl]oxypropane-1,2-diol is OCC(O)COc1cnn2ncc(-c3ccnc4[nH]ccc34)c2c1.
What is the InChIKey of 3-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazin-5-yl]oxypropane-1,2-diol?
The InChIKey is DOTQQXIKDOWYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3/c22-8-10(23)9-24-11-5-15-14(7-20-21(15)19-6-11)12-1-3-17-16-13(12)2-4-18-16/h1-7,10,22-23H,8-9H2,(H,17,18).
What are the key properties of 3-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazin-5-yl]oxypropane-1,2-diol?
3-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazin-5-yl]oxypropane-1,2-diol has a molecular weight of 325.33 g/mol, XLogP of 1.00, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazin-5-yl]oxypropane-1,2-diol is sourced from PubChem (CID 138491168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).