3-(1-cyclopentylpyrazol-4-yl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine

C19H23N5O2 — CID 66827038

IUPAC3-(1-cyclopentylpyrazol-4-yl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine
SMILESc1cc2[nH]nc(-c3cnn(C4CCCC4)c3)c2c(OC2CCOCC2)n1
InChIInChI=1S/C19H23N5O2/c1-2-4-14(3-1)24-12-13(11-21-24)18-17-16(22-23-18)5-8-20-19(17)26-15-6-9-25-10-7-15/h5,8,11-12,14-15H,1-4,6-7,9-10H2,(H,22,23)
InChIKeyREWYYRDPMFBIQK-UHFFFAOYSA-N
MW353.43 g/mol
LogP3.49
Rot. Bonds4

About 3-(1-cyclopentylpyrazol-4-yl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine

3-(1-cyclopentylpyrazol-4-yl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine (PubChem CID 66827038) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 3-(1-cyclopentylpyrazol-4-yl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(1-cyclopentylpyrazol-4-yl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine
PubChem CID66827038
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name3-(1-cyclopentylpyrazol-4-yl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine
SMILESc1cc2[nH]nc(-c3cnn(C4CCCC4)c3)c2c(OC2CCOCC2)n1
InChIInChI=1S/C19H23N5O2/c1-2-4-14(3-1)24-12-13(11-21-24)18-17-16(22-23-18)5-8-20-19(17)26-15-6-9-25-10-7-15/h5,8,11-12,14-15H,1-4,6-7,9-10H2,(H,22,23)
InChIKeyREWYYRDPMFBIQK-UHFFFAOYSA-N
XLogP3.49
TPSA77.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopentylpyrazol-4-yl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(1-cyclopentylpyrazol-4-yl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine (CID 66827038) is 3-(1-cyclopentylpyrazol-4-yl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(1-cyclopentylpyrazol-4-yl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(1-cyclopentylpyrazol-4-yl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine is c1cc2[nH]nc(-c3cnn(C4CCCC4)c3)c2c(OC2CCOCC2)n1.
What is the InChIKey of 3-(1-cyclopentylpyrazol-4-yl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine?
The InChIKey is REWYYRDPMFBIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-2-4-14(3-1)24-12-13(11-21-24)18-17-16(22-23-18)5-8-20-19(17)26-15-6-9-25-10-7-15/h5,8,11-12,14-15H,1-4,6-7,9-10H2,(H,22,23).
What are the key properties of 3-(1-cyclopentylpyrazol-4-yl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine?
3-(1-cyclopentylpyrazol-4-yl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine has a molecular weight of 353.43 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopentylpyrazol-4-yl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 66827038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).