5-spiro[1,3-dioxolane-2,7'-5,6,8,9-tetrahydrobenzo[7]annulene]-3'-yl-1H-pyrazolo[3,4-b]pyridine

C19H19N3O2 — CID 166137648

IUPAC5-spiro[1,3-dioxolane-2,7'-5,6,8,9-tetrahydrobenzo[7]annulene]-3'-yl-1H-pyrazolo[3,4-b]pyridine
SMILESc1cc2c(cc1-c1cnc3[nH]ncc3c1)CCC1(CC2)OCCO1
InChIInChI=1S/C19H19N3O2/c1-2-14(16-10-17-12-21-22-18(17)20-11-16)9-15-4-6-19(5-3-13(1)15)23-7-8-24-19/h1-2,9-12H,3-8H2,(H,20,21,22)
InChIKeyNBCNBZAYEVINON-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.25
Rot. Bonds1

About 5-spiro[1,3-dioxolane-2,7'-5,6,8,9-tetrahydrobenzo[7]annulene]-3'-yl-1H-pyrazolo[3,4-b]pyridine

5-spiro[1,3-dioxolane-2,7'-5,6,8,9-tetrahydrobenzo[7]annulene]-3'-yl-1H-pyrazolo[3,4-b]pyridine (PubChem CID 166137648) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 5-spiro[1,3-dioxolane-2,7'-5,6,8,9-tetrahydrobenzo[7]annulene]-3'-yl-1H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name5-spiro[1,3-dioxolane-2,7'-5,6,8,9-tetrahydrobenzo[7]annulene]-3'-yl-1H-pyrazolo[3,4-b]pyridine
PubChem CID166137648
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name5-spiro[1,3-dioxolane-2,7'-5,6,8,9-tetrahydrobenzo[7]annulene]-3'-yl-1H-pyrazolo[3,4-b]pyridine
SMILESc1cc2c(cc1-c1cnc3[nH]ncc3c1)CCC1(CC2)OCCO1
InChIInChI=1S/C19H19N3O2/c1-2-14(16-10-17-12-21-22-18(17)20-11-16)9-15-4-6-19(5-3-13(1)15)23-7-8-24-19/h1-2,9-12H,3-8H2,(H,20,21,22)
InChIKeyNBCNBZAYEVINON-UHFFFAOYSA-N
XLogP3.25
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-spiro[1,3-dioxolane-2,7'-5,6,8,9-tetrahydrobenzo[7]annulene]-3'-yl-1H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 5-spiro[1,3-dioxolane-2,7'-5,6,8,9-tetrahydrobenzo[7]annulene]-3'-yl-1H-pyrazolo[3,4-b]pyridine (CID 166137648) is 5-spiro[1,3-dioxolane-2,7'-5,6,8,9-tetrahydrobenzo[7]annulene]-3'-yl-1H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 5-spiro[1,3-dioxolane-2,7'-5,6,8,9-tetrahydrobenzo[7]annulene]-3'-yl-1H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 5-spiro[1,3-dioxolane-2,7'-5,6,8,9-tetrahydrobenzo[7]annulene]-3'-yl-1H-pyrazolo[3,4-b]pyridine is c1cc2c(cc1-c1cnc3[nH]ncc3c1)CCC1(CC2)OCCO1.
What is the InChIKey of 5-spiro[1,3-dioxolane-2,7'-5,6,8,9-tetrahydrobenzo[7]annulene]-3'-yl-1H-pyrazolo[3,4-b]pyridine?
The InChIKey is NBCNBZAYEVINON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-2-14(16-10-17-12-21-22-18(17)20-11-16)9-15-4-6-19(5-3-13(1)15)23-7-8-24-19/h1-2,9-12H,3-8H2,(H,20,21,22).
What are the key properties of 5-spiro[1,3-dioxolane-2,7'-5,6,8,9-tetrahydrobenzo[7]annulene]-3'-yl-1H-pyrazolo[3,4-b]pyridine?
5-spiro[1,3-dioxolane-2,7'-5,6,8,9-tetrahydrobenzo[7]annulene]-3'-yl-1H-pyrazolo[3,4-b]pyridine has a molecular weight of 321.38 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-spiro[1,3-dioxolane-2,7'-5,6,8,9-tetrahydrobenzo[7]annulene]-3'-yl-1H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 166137648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).