(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone

C22H22N4O2 — CID 75443254

IUPAC(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
SMILESCc1ccc2c(n1)OCCN2C(=O)c1nn(-c2ccccc2C)c2c1CCC2
InChIInChI=1S/C22H22N4O2/c1-14-6-3-4-8-17(14)26-18-9-5-7-16(18)20(24-26)22(27)25-12-13-28-21-19(25)11-10-15(2)23-21/h3-4,6,8,10-11H,5,7,9,12-13H2,1-2H3
InChIKeyPGBZSVOYCVDZEL-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.41
Rot. Bonds2

About (6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone

(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone (PubChem CID 75443254) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is (6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone.

Molecular Properties

Compound Name(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
PubChem CID75443254
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
SMILESCc1ccc2c(n1)OCCN2C(=O)c1nn(-c2ccccc2C)c2c1CCC2
InChIInChI=1S/C22H22N4O2/c1-14-6-3-4-8-17(14)26-18-9-5-7-16(18)20(24-26)22(27)25-12-13-28-21-19(25)11-10-15(2)23-21/h3-4,6,8,10-11H,5,7,9,12-13H2,1-2H3
InChIKeyPGBZSVOYCVDZEL-UHFFFAOYSA-N
XLogP3.41
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone?
The IUPAC name of (6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone (CID 75443254) is (6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone.
What is the SMILES notation for (6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone?
The canonical SMILES for (6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone is Cc1ccc2c(n1)OCCN2C(=O)c1nn(-c2ccccc2C)c2c1CCC2.
What is the InChIKey of (6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone?
The InChIKey is PGBZSVOYCVDZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-14-6-3-4-8-17(14)26-18-9-5-7-16(18)20(24-26)22(27)25-12-13-28-21-19(25)11-10-15(2)23-21/h3-4,6,8,10-11H,5,7,9,12-13H2,1-2H3.
What are the key properties of (6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone?
(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone has a molecular weight of 374.44 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone is sourced from PubChem (CID 75443254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).