[4-(7-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone

C17H13ClN6O2 — CID 170333548

IUPAC[4-(7-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone
SMILESO=C(c1cnco1)N1CCc2[nH]cnc2C1c1cc2cccc(Cl)n2n1
InChIInChI=1S/C17H13ClN6O2/c18-14-3-1-2-10-6-12(22-24(10)14)16-15-11(20-8-21-15)4-5-23(16)17(25)13-7-19-9-26-13/h1-3,6-9,16H,4-5H2,(H,20,21)
InChIKeyFOFZCQAKSVSYGG-UHFFFAOYSA-N
MW368.78 g/mol
LogP2.49
Rot. Bonds2

About [4-(7-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone

[4-(7-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone (PubChem CID 170333548) has the molecular formula C17H13ClN6O2 and a molecular weight of 368.78 g/mol. Its IUPAC name is [4-(7-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(7-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone
PubChem CID170333548
Molecular FormulaC17H13ClN6O2
Molecular Weight368.78 g/mol
Exact Mass368.08
IUPAC Name[4-(7-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone
SMILESO=C(c1cnco1)N1CCc2[nH]cnc2C1c1cc2cccc(Cl)n2n1
InChIInChI=1S/C17H13ClN6O2/c18-14-3-1-2-10-6-12(22-24(10)14)16-15-11(20-8-21-15)4-5-23(16)17(25)13-7-19-9-26-13/h1-3,6-9,16H,4-5H2,(H,20,21)
InChIKeyFOFZCQAKSVSYGG-UHFFFAOYSA-N
XLogP2.49
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.78
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [4-(7-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of [4-(7-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone?
The IUPAC name of [4-(7-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone (CID 170333548) is [4-(7-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [4-(7-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone?
The canonical SMILES for [4-(7-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone is O=C(c1cnco1)N1CCc2[nH]cnc2C1c1cc2cccc(Cl)n2n1.
What is the InChIKey of [4-(7-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone?
The InChIKey is FOFZCQAKSVSYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN6O2/c18-14-3-1-2-10-6-12(22-24(10)14)16-15-11(20-8-21-15)4-5-23(16)17(25)13-7-19-9-26-13/h1-3,6-9,16H,4-5H2,(H,20,21).
What are the key properties of [4-(7-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone?
[4-(7-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone has a molecular weight of 368.78 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(7-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 170333548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).