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

C14H11N5O — CID 138491301

IUPAC(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methanol
SMILESOCc1cc2c(-c3cnn4ncccc34)ccnc2[nH]1
InChIInChI=1S/C14H11N5O/c20-8-9-6-11-10(3-5-15-14(11)18-9)12-7-17-19-13(12)2-1-4-16-19/h1-7,20H,8H2,(H,15,18)
InChIKeyKWESRLQUCSBVEY-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.76
Rot. Bonds2

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

(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methanol (PubChem CID 138491301) has the molecular formula C14H11N5O and a molecular weight of 265.28 g/mol. Its IUPAC name is (4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methanol.

Molecular Properties

Compound Name(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methanol
PubChem CID138491301
Molecular FormulaC14H11N5O
Molecular Weight265.28 g/mol
Exact Mass265.10
IUPAC Name(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methanol
SMILESOCc1cc2c(-c3cnn4ncccc34)ccnc2[nH]1
InChIInChI=1S/C14H11N5O/c20-8-9-6-11-10(3-5-15-14(11)18-9)12-7-17-19-13(12)2-1-4-16-19/h1-7,20H,8H2,(H,15,18)
InChIKeyKWESRLQUCSBVEY-UHFFFAOYSA-N
XLogP1.76
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methanol?
The IUPAC name of (4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methanol (CID 138491301) is (4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methanol.
What is the SMILES notation for (4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methanol?
The canonical SMILES for (4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methanol is OCc1cc2c(-c3cnn4ncccc34)ccnc2[nH]1.
What is the InChIKey of (4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methanol?
The InChIKey is KWESRLQUCSBVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O/c20-8-9-6-11-10(3-5-15-14(11)18-9)12-7-17-19-13(12)2-1-4-16-19/h1-7,20H,8H2,(H,15,18).
What are the key properties of (4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methanol?
(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methanol has a molecular weight of 265.28 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methanol is sourced from PubChem (CID 138491301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).