2-[[4-(cyclohexylmethyl)-6-(4-fluorophenyl)-3-oxopyrido[2,3-b]pyrazin-2-yl]amino]-N,N-dimethylacetamide

C24H28FN5O2 — CID 45269481

IUPAC2-[[4-(cyclohexylmethyl)-6-(4-fluorophenyl)-3-oxopyrido[2,3-b]pyrazin-2-yl]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNc1nc2ccc(-c3ccc(F)cc3)nc2n(CC2CCCCC2)c1=O
InChIInChI=1S/C24H28FN5O2/c1-29(2)21(31)14-26-22-24(32)30(15-16-6-4-3-5-7-16)23-20(27-22)13-12-19(28-23)17-8-10-18(25)11-9-17/h8-13,16H,3-7,14-15H2,1-2H3,(H,26,27)
InChIKeySYWZCSBDISHYLW-UHFFFAOYSA-N
MW437.52 g/mol
LogP3.68
Rot. Bonds6

About 2-[[4-(cyclohexylmethyl)-6-(4-fluorophenyl)-3-oxopyrido[2,3-b]pyrazin-2-yl]amino]-N,N-dimethylacetamide

2-[[4-(cyclohexylmethyl)-6-(4-fluorophenyl)-3-oxopyrido[2,3-b]pyrazin-2-yl]amino]-N,N-dimethylacetamide (PubChem CID 45269481) has the molecular formula C24H28FN5O2 and a molecular weight of 437.52 g/mol. Its IUPAC name is 2-[[4-(cyclohexylmethyl)-6-(4-fluorophenyl)-3-oxopyrido[2,3-b]pyrazin-2-yl]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[4-(cyclohexylmethyl)-6-(4-fluorophenyl)-3-oxopyrido[2,3-b]pyrazin-2-yl]amino]-N,N-dimethylacetamide
PubChem CID45269481
Molecular FormulaC24H28FN5O2
Molecular Weight437.52 g/mol
Exact Mass437.22
IUPAC Name2-[[4-(cyclohexylmethyl)-6-(4-fluorophenyl)-3-oxopyrido[2,3-b]pyrazin-2-yl]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNc1nc2ccc(-c3ccc(F)cc3)nc2n(CC2CCCCC2)c1=O
InChIInChI=1S/C24H28FN5O2/c1-29(2)21(31)14-26-22-24(32)30(15-16-6-4-3-5-7-16)23-20(27-22)13-12-19(28-23)17-8-10-18(25)11-9-17/h8-13,16H,3-7,14-15H2,1-2H3,(H,26,27)
InChIKeySYWZCSBDISHYLW-UHFFFAOYSA-N
XLogP3.68
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(cyclohexylmethyl)-6-(4-fluorophenyl)-3-oxopyrido[2,3-b]pyrazin-2-yl]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[4-(cyclohexylmethyl)-6-(4-fluorophenyl)-3-oxopyrido[2,3-b]pyrazin-2-yl]amino]-N,N-dimethylacetamide (CID 45269481) is 2-[[4-(cyclohexylmethyl)-6-(4-fluorophenyl)-3-oxopyrido[2,3-b]pyrazin-2-yl]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[4-(cyclohexylmethyl)-6-(4-fluorophenyl)-3-oxopyrido[2,3-b]pyrazin-2-yl]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[4-(cyclohexylmethyl)-6-(4-fluorophenyl)-3-oxopyrido[2,3-b]pyrazin-2-yl]amino]-N,N-dimethylacetamide is CN(C)C(=O)CNc1nc2ccc(-c3ccc(F)cc3)nc2n(CC2CCCCC2)c1=O.
What is the InChIKey of 2-[[4-(cyclohexylmethyl)-6-(4-fluorophenyl)-3-oxopyrido[2,3-b]pyrazin-2-yl]amino]-N,N-dimethylacetamide?
The InChIKey is SYWZCSBDISHYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O2/c1-29(2)21(31)14-26-22-24(32)30(15-16-6-4-3-5-7-16)23-20(27-22)13-12-19(28-23)17-8-10-18(25)11-9-17/h8-13,16H,3-7,14-15H2,1-2H3,(H,26,27).
What are the key properties of 2-[[4-(cyclohexylmethyl)-6-(4-fluorophenyl)-3-oxopyrido[2,3-b]pyrazin-2-yl]amino]-N,N-dimethylacetamide?
2-[[4-(cyclohexylmethyl)-6-(4-fluorophenyl)-3-oxopyrido[2,3-b]pyrazin-2-yl]amino]-N,N-dimethylacetamide has a molecular weight of 437.52 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(cyclohexylmethyl)-6-(4-fluorophenyl)-3-oxopyrido[2,3-b]pyrazin-2-yl]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 45269481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).