3-[1-(oxolan-3-yl)pyrazol-4-yl]-4-propan-2-yloxy-1H-pyrrolo[3,4-c]pyridine

C17H20N4O2 — CID 153107783

IUPAC3-[1-(oxolan-3-yl)pyrazol-4-yl]-4-propan-2-yloxy-1H-pyrrolo[3,4-c]pyridine
SMILESCC(C)Oc1nccc2c1C(c1cnn(C3CCOC3)c1)=NC2
InChIInChI=1S/C17H20N4O2/c1-11(2)23-17-15-12(3-5-18-17)7-19-16(15)13-8-20-21(9-13)14-4-6-22-10-14/h3,5,8-9,11,14H,4,6-7,10H2,1-2H3
InChIKeyVSIAUJAEGZSZCM-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.38
Rot. Bonds4

About 3-[1-(oxolan-3-yl)pyrazol-4-yl]-4-propan-2-yloxy-1H-pyrrolo[3,4-c]pyridine

3-[1-(oxolan-3-yl)pyrazol-4-yl]-4-propan-2-yloxy-1H-pyrrolo[3,4-c]pyridine (PubChem CID 153107783) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-[1-(oxolan-3-yl)pyrazol-4-yl]-4-propan-2-yloxy-1H-pyrrolo[3,4-c]pyridine.

Molecular Properties

Compound Name3-[1-(oxolan-3-yl)pyrazol-4-yl]-4-propan-2-yloxy-1H-pyrrolo[3,4-c]pyridine
PubChem CID153107783
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name3-[1-(oxolan-3-yl)pyrazol-4-yl]-4-propan-2-yloxy-1H-pyrrolo[3,4-c]pyridine
SMILESCC(C)Oc1nccc2c1C(c1cnn(C3CCOC3)c1)=NC2
InChIInChI=1S/C17H20N4O2/c1-11(2)23-17-15-12(3-5-18-17)7-19-16(15)13-8-20-21(9-13)14-4-6-22-10-14/h3,5,8-9,11,14H,4,6-7,10H2,1-2H3
InChIKeyVSIAUJAEGZSZCM-UHFFFAOYSA-N
XLogP2.38
TPSA61.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(oxolan-3-yl)pyrazol-4-yl]-4-propan-2-yloxy-1H-pyrrolo[3,4-c]pyridine?
The IUPAC name of 3-[1-(oxolan-3-yl)pyrazol-4-yl]-4-propan-2-yloxy-1H-pyrrolo[3,4-c]pyridine (CID 153107783) is 3-[1-(oxolan-3-yl)pyrazol-4-yl]-4-propan-2-yloxy-1H-pyrrolo[3,4-c]pyridine.
What is the SMILES notation for 3-[1-(oxolan-3-yl)pyrazol-4-yl]-4-propan-2-yloxy-1H-pyrrolo[3,4-c]pyridine?
The canonical SMILES for 3-[1-(oxolan-3-yl)pyrazol-4-yl]-4-propan-2-yloxy-1H-pyrrolo[3,4-c]pyridine is CC(C)Oc1nccc2c1C(c1cnn(C3CCOC3)c1)=NC2.
What is the InChIKey of 3-[1-(oxolan-3-yl)pyrazol-4-yl]-4-propan-2-yloxy-1H-pyrrolo[3,4-c]pyridine?
The InChIKey is VSIAUJAEGZSZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-11(2)23-17-15-12(3-5-18-17)7-19-16(15)13-8-20-21(9-13)14-4-6-22-10-14/h3,5,8-9,11,14H,4,6-7,10H2,1-2H3.
What are the key properties of 3-[1-(oxolan-3-yl)pyrazol-4-yl]-4-propan-2-yloxy-1H-pyrrolo[3,4-c]pyridine?
3-[1-(oxolan-3-yl)pyrazol-4-yl]-4-propan-2-yloxy-1H-pyrrolo[3,4-c]pyridine has a molecular weight of 312.37 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(oxolan-3-yl)pyrazol-4-yl]-4-propan-2-yloxy-1H-pyrrolo[3,4-c]pyridine is sourced from PubChem (CID 153107783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).