5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazine

C19H19N5O3 — CID 138491170

IUPAC5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazine
SMILESCC1(C)OCC(COc2cnn3ncc(-c4ccnc5[nH]ccc45)c3c2)O1
InChIInChI=1S/C19H19N5O3/c1-19(2)26-11-13(27-19)10-25-12-7-17-16(9-23-24(17)22-8-12)14-3-5-20-18-15(14)4-6-21-18/h3-9,13H,10-11H2,1-2H3,(H,20,21)
InChIKeyUHNVQQQSPQBPSF-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.80
Rot. Bonds4

About 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazine

5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazine (PubChem CID 138491170) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazine.

Molecular Properties

Compound Name5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazine
PubChem CID138491170
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazine
SMILESCC1(C)OCC(COc2cnn3ncc(-c4ccnc5[nH]ccc45)c3c2)O1
InChIInChI=1S/C19H19N5O3/c1-19(2)26-11-13(27-19)10-25-12-7-17-16(9-23-24(17)22-8-12)14-3-5-20-18-15(14)4-6-21-18/h3-9,13H,10-11H2,1-2H3,(H,20,21)
InChIKeyUHNVQQQSPQBPSF-UHFFFAOYSA-N
XLogP2.80
TPSA86.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazine?
The IUPAC name of 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazine (CID 138491170) is 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazine.
What is the SMILES notation for 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazine?
The canonical SMILES for 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazine is CC1(C)OCC(COc2cnn3ncc(-c4ccnc5[nH]ccc45)c3c2)O1.
What is the InChIKey of 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazine?
The InChIKey is UHNVQQQSPQBPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-19(2)26-11-13(27-19)10-25-12-7-17-16(9-23-24(17)22-8-12)14-3-5-20-18-15(14)4-6-21-18/h3-9,13H,10-11H2,1-2H3,(H,20,21).
What are the key properties of 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazine?
5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazine has a molecular weight of 365.39 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazine is sourced from PubChem (CID 138491170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).