2-(5-fluoro-3-piperidin-4-ylcinnolin-7-yl)-4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine

C21H20FN5O — CID 137357743

IUPAC2-(5-fluoro-3-piperidin-4-ylcinnolin-7-yl)-4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine
SMILESCc1cc2oc(-c3cc(F)c4cc(C5CCNCC5)nnc4c3)nc2c(C)n1
InChIInChI=1S/C21H20FN5O/c1-11-7-19-20(12(2)24-11)25-21(28-19)14-8-16(22)15-10-17(26-27-18(15)9-14)13-3-5-23-6-4-13/h7-10,13,23H,3-6H2,1-2H3
InChIKeyVNNSQWQAODKTMJ-UHFFFAOYSA-N
MW377.42 g/mol
LogP4.06
Rot. Bonds2

About 2-(5-fluoro-3-piperidin-4-ylcinnolin-7-yl)-4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine

2-(5-fluoro-3-piperidin-4-ylcinnolin-7-yl)-4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine (PubChem CID 137357743) has the molecular formula C21H20FN5O and a molecular weight of 377.42 g/mol. Its IUPAC name is 2-(5-fluoro-3-piperidin-4-ylcinnolin-7-yl)-4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(5-fluoro-3-piperidin-4-ylcinnolin-7-yl)-4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine
PubChem CID137357743
Molecular FormulaC21H20FN5O
Molecular Weight377.42 g/mol
Exact Mass377.17
IUPAC Name2-(5-fluoro-3-piperidin-4-ylcinnolin-7-yl)-4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine
SMILESCc1cc2oc(-c3cc(F)c4cc(C5CCNCC5)nnc4c3)nc2c(C)n1
InChIInChI=1S/C21H20FN5O/c1-11-7-19-20(12(2)24-11)25-21(28-19)14-8-16(22)15-10-17(26-27-18(15)9-14)13-3-5-23-6-4-13/h7-10,13,23H,3-6H2,1-2H3
InChIKeyVNNSQWQAODKTMJ-UHFFFAOYSA-N
XLogP4.06
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(5-fluoro-3-piperidin-4-ylcinnolin-7-yl)-4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-3-piperidin-4-ylcinnolin-7-yl)-4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine?
The IUPAC name of 2-(5-fluoro-3-piperidin-4-ylcinnolin-7-yl)-4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine (CID 137357743) is 2-(5-fluoro-3-piperidin-4-ylcinnolin-7-yl)-4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 2-(5-fluoro-3-piperidin-4-ylcinnolin-7-yl)-4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine?
The canonical SMILES for 2-(5-fluoro-3-piperidin-4-ylcinnolin-7-yl)-4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine is Cc1cc2oc(-c3cc(F)c4cc(C5CCNCC5)nnc4c3)nc2c(C)n1.
What is the InChIKey of 2-(5-fluoro-3-piperidin-4-ylcinnolin-7-yl)-4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine?
The InChIKey is VNNSQWQAODKTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O/c1-11-7-19-20(12(2)24-11)25-21(28-19)14-8-16(22)15-10-17(26-27-18(15)9-14)13-3-5-23-6-4-13/h7-10,13,23H,3-6H2,1-2H3.
What are the key properties of 2-(5-fluoro-3-piperidin-4-ylcinnolin-7-yl)-4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine?
2-(5-fluoro-3-piperidin-4-ylcinnolin-7-yl)-4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine has a molecular weight of 377.42 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-3-piperidin-4-ylcinnolin-7-yl)-4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 137357743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).