4-(cyclohexylmethyl)-6-(4-fluorophenyl)-2-(oxolan-2-ylamino)pyrido[2,3-b]pyrazin-3-one

C24H27FN4O2 — CID 70318202

IUPAC4-(cyclohexylmethyl)-6-(4-fluorophenyl)-2-(oxolan-2-ylamino)pyrido[2,3-b]pyrazin-3-one
SMILESO=c1c(NC2CCCO2)nc2ccc(-c3ccc(F)cc3)nc2n1CC1CCCCC1
InChIInChI=1S/C24H27FN4O2/c25-18-10-8-17(9-11-18)19-12-13-20-23(27-19)29(15-16-5-2-1-3-6-16)24(30)22(26-20)28-21-7-4-14-31-21/h8-13,16,21H,1-7,14-15H2,(H,26,28)
InChIKeyAWXNJHVHEKHRES-UHFFFAOYSA-N
MW422.50 g/mol
LogP4.73
Rot. Bonds5

About 4-(cyclohexylmethyl)-6-(4-fluorophenyl)-2-(oxolan-2-ylamino)pyrido[2,3-b]pyrazin-3-one

4-(cyclohexylmethyl)-6-(4-fluorophenyl)-2-(oxolan-2-ylamino)pyrido[2,3-b]pyrazin-3-one (PubChem CID 70318202) has the molecular formula C24H27FN4O2 and a molecular weight of 422.50 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-6-(4-fluorophenyl)-2-(oxolan-2-ylamino)pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-6-(4-fluorophenyl)-2-(oxolan-2-ylamino)pyrido[2,3-b]pyrazin-3-one
PubChem CID70318202
Molecular FormulaC24H27FN4O2
Molecular Weight422.50 g/mol
Exact Mass422.21
IUPAC Name4-(cyclohexylmethyl)-6-(4-fluorophenyl)-2-(oxolan-2-ylamino)pyrido[2,3-b]pyrazin-3-one
SMILESO=c1c(NC2CCCO2)nc2ccc(-c3ccc(F)cc3)nc2n1CC1CCCCC1
InChIInChI=1S/C24H27FN4O2/c25-18-10-8-17(9-11-18)19-12-13-20-23(27-19)29(15-16-5-2-1-3-6-16)24(30)22(26-20)28-21-7-4-14-31-21/h8-13,16,21H,1-7,14-15H2,(H,26,28)
InChIKeyAWXNJHVHEKHRES-UHFFFAOYSA-N
XLogP4.73
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-6-(4-fluorophenyl)-2-(oxolan-2-ylamino)pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 4-(cyclohexylmethyl)-6-(4-fluorophenyl)-2-(oxolan-2-ylamino)pyrido[2,3-b]pyrazin-3-one (CID 70318202) is 4-(cyclohexylmethyl)-6-(4-fluorophenyl)-2-(oxolan-2-ylamino)pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 4-(cyclohexylmethyl)-6-(4-fluorophenyl)-2-(oxolan-2-ylamino)pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 4-(cyclohexylmethyl)-6-(4-fluorophenyl)-2-(oxolan-2-ylamino)pyrido[2,3-b]pyrazin-3-one is O=c1c(NC2CCCO2)nc2ccc(-c3ccc(F)cc3)nc2n1CC1CCCCC1.
What is the InChIKey of 4-(cyclohexylmethyl)-6-(4-fluorophenyl)-2-(oxolan-2-ylamino)pyrido[2,3-b]pyrazin-3-one?
The InChIKey is AWXNJHVHEKHRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O2/c25-18-10-8-17(9-11-18)19-12-13-20-23(27-19)29(15-16-5-2-1-3-6-16)24(30)22(26-20)28-21-7-4-14-31-21/h8-13,16,21H,1-7,14-15H2,(H,26,28).
What are the key properties of 4-(cyclohexylmethyl)-6-(4-fluorophenyl)-2-(oxolan-2-ylamino)pyrido[2,3-b]pyrazin-3-one?
4-(cyclohexylmethyl)-6-(4-fluorophenyl)-2-(oxolan-2-ylamino)pyrido[2,3-b]pyrazin-3-one has a molecular weight of 422.50 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-6-(4-fluorophenyl)-2-(oxolan-2-ylamino)pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 70318202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).