4-bromo-6-[(1-hydroxycyclopropyl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile

C12H10BrN3O2 — CID 156894936

IUPAC4-bromo-6-[(1-hydroxycyclopropyl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESN#Cc1cnn2cc(OCC3(O)CC3)cc(Br)c12
InChIInChI=1S/C12H10BrN3O2/c13-10-3-9(18-7-12(17)1-2-12)6-16-11(10)8(4-14)5-15-16/h3,5-6,17H,1-2,7H2
InChIKeyCGZSWPROMWNPRX-UHFFFAOYSA-N
MW308.14 g/mol
LogP1.87
Rot. Bonds3

About 4-bromo-6-[(1-hydroxycyclopropyl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile

4-bromo-6-[(1-hydroxycyclopropyl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 156894936) has the molecular formula C12H10BrN3O2 and a molecular weight of 308.14 g/mol. Its IUPAC name is 4-bromo-6-[(1-hydroxycyclopropyl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-bromo-6-[(1-hydroxycyclopropyl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID156894936
Molecular FormulaC12H10BrN3O2
Molecular Weight308.14 g/mol
Exact Mass307.00
IUPAC Name4-bromo-6-[(1-hydroxycyclopropyl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESN#Cc1cnn2cc(OCC3(O)CC3)cc(Br)c12
InChIInChI=1S/C12H10BrN3O2/c13-10-3-9(18-7-12(17)1-2-12)6-16-11(10)8(4-14)5-15-16/h3,5-6,17H,1-2,7H2
InChIKeyCGZSWPROMWNPRX-UHFFFAOYSA-N
XLogP1.87
TPSA70.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.14
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-[(1-hydroxycyclopropyl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-bromo-6-[(1-hydroxycyclopropyl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 156894936) is 4-bromo-6-[(1-hydroxycyclopropyl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-bromo-6-[(1-hydroxycyclopropyl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-bromo-6-[(1-hydroxycyclopropyl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile is N#Cc1cnn2cc(OCC3(O)CC3)cc(Br)c12.
What is the InChIKey of 4-bromo-6-[(1-hydroxycyclopropyl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is CGZSWPROMWNPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O2/c13-10-3-9(18-7-12(17)1-2-12)6-16-11(10)8(4-14)5-15-16/h3,5-6,17H,1-2,7H2.
What are the key properties of 4-bromo-6-[(1-hydroxycyclopropyl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-bromo-6-[(1-hydroxycyclopropyl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 308.14 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-[(1-hydroxycyclopropyl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 156894936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).