3-(2-chloro-4-pyridinyl)-1-methyl-4-(oxan-4-yloxy)pyrazolo[4,3-c]pyridine

C17H17ClN4O2 — CID 89211964

IUPAC3-(2-chloro-4-pyridinyl)-1-methyl-4-(oxan-4-yloxy)pyrazolo[4,3-c]pyridine
SMILESCn1nc(-c2ccnc(Cl)c2)c2c(OC3CCOCC3)nccc21
InChIInChI=1S/C17H17ClN4O2/c1-22-13-3-7-20-17(24-12-4-8-23-9-5-12)15(13)16(21-22)11-2-6-19-14(18)10-11/h2-3,6-7,10,12H,4-5,8-9H2,1H3
InChIKeyFRGKDZHNURRQIL-UHFFFAOYSA-N
MW344.80 g/mol
LogP3.24
Rot. Bonds3

About 3-(2-chloro-4-pyridinyl)-1-methyl-4-(oxan-4-yloxy)pyrazolo[4,3-c]pyridine

3-(2-chloro-4-pyridinyl)-1-methyl-4-(oxan-4-yloxy)pyrazolo[4,3-c]pyridine (PubChem CID 89211964) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is 3-(2-chloro-4-pyridinyl)-1-methyl-4-(oxan-4-yloxy)pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(2-chloro-4-pyridinyl)-1-methyl-4-(oxan-4-yloxy)pyrazolo[4,3-c]pyridine
PubChem CID89211964
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC Name3-(2-chloro-4-pyridinyl)-1-methyl-4-(oxan-4-yloxy)pyrazolo[4,3-c]pyridine
SMILESCn1nc(-c2ccnc(Cl)c2)c2c(OC3CCOCC3)nccc21
InChIInChI=1S/C17H17ClN4O2/c1-22-13-3-7-20-17(24-12-4-8-23-9-5-12)15(13)16(21-22)11-2-6-19-14(18)10-11/h2-3,6-7,10,12H,4-5,8-9H2,1H3
InChIKeyFRGKDZHNURRQIL-UHFFFAOYSA-N
XLogP3.24
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-pyridinyl)-1-methyl-4-(oxan-4-yloxy)pyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(2-chloro-4-pyridinyl)-1-methyl-4-(oxan-4-yloxy)pyrazolo[4,3-c]pyridine (CID 89211964) is 3-(2-chloro-4-pyridinyl)-1-methyl-4-(oxan-4-yloxy)pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(2-chloro-4-pyridinyl)-1-methyl-4-(oxan-4-yloxy)pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(2-chloro-4-pyridinyl)-1-methyl-4-(oxan-4-yloxy)pyrazolo[4,3-c]pyridine is Cn1nc(-c2ccnc(Cl)c2)c2c(OC3CCOCC3)nccc21.
What is the InChIKey of 3-(2-chloro-4-pyridinyl)-1-methyl-4-(oxan-4-yloxy)pyrazolo[4,3-c]pyridine?
The InChIKey is FRGKDZHNURRQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2/c1-22-13-3-7-20-17(24-12-4-8-23-9-5-12)15(13)16(21-22)11-2-6-19-14(18)10-11/h2-3,6-7,10,12H,4-5,8-9H2,1H3.
What are the key properties of 3-(2-chloro-4-pyridinyl)-1-methyl-4-(oxan-4-yloxy)pyrazolo[4,3-c]pyridine?
3-(2-chloro-4-pyridinyl)-1-methyl-4-(oxan-4-yloxy)pyrazolo[4,3-c]pyridine has a molecular weight of 344.80 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-pyridinyl)-1-methyl-4-(oxan-4-yloxy)pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 89211964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).