3-[[2,4-dimethyl-1-(oxan-4-yl)-3-oxo-2H-pyrido[3,4-b]pyrazin-7-yl]amino]-N-(1H-pyrazol-5-yl)benzamide

C24H27N7O3 — CID 118608663

IUPAC3-[[2,4-dimethyl-1-(oxan-4-yl)-3-oxo-2H-pyrido[3,4-b]pyrazin-7-yl]amino]-N-(1H-pyrazol-5-yl)benzamide
SMILESCC1C(=O)N(C)c2cnc(Nc3cccc(C(=O)Nc4ccn[nH]4)c3)cc2N1C1CCOCC1
InChIInChI=1S/C24H27N7O3/c1-15-24(33)30(2)20-14-25-22(13-19(20)31(15)18-7-10-34-11-8-18)27-17-5-3-4-16(12-17)23(32)28-21-6-9-26-29-21/h3-6,9,12-15,18H,7-8,10-11H2,1-2H3,(H,25,27)(H2,26,28,29,32)
InChIKeyROJGYONDKMFRRC-UHFFFAOYSA-N
MW461.53 g/mol
LogP3.15
Rot. Bonds5

About 3-[[2,4-dimethyl-1-(oxan-4-yl)-3-oxo-2H-pyrido[3,4-b]pyrazin-7-yl]amino]-N-(1H-pyrazol-5-yl)benzamide

3-[[2,4-dimethyl-1-(oxan-4-yl)-3-oxo-2H-pyrido[3,4-b]pyrazin-7-yl]amino]-N-(1H-pyrazol-5-yl)benzamide (PubChem CID 118608663) has the molecular formula C24H27N7O3 and a molecular weight of 461.53 g/mol. Its IUPAC name is 3-[[2,4-dimethyl-1-(oxan-4-yl)-3-oxo-2H-pyrido[3,4-b]pyrazin-7-yl]amino]-N-(1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound Name3-[[2,4-dimethyl-1-(oxan-4-yl)-3-oxo-2H-pyrido[3,4-b]pyrazin-7-yl]amino]-N-(1H-pyrazol-5-yl)benzamide
PubChem CID118608663
Molecular FormulaC24H27N7O3
Molecular Weight461.53 g/mol
Exact Mass461.22
IUPAC Name3-[[2,4-dimethyl-1-(oxan-4-yl)-3-oxo-2H-pyrido[3,4-b]pyrazin-7-yl]amino]-N-(1H-pyrazol-5-yl)benzamide
SMILESCC1C(=O)N(C)c2cnc(Nc3cccc(C(=O)Nc4ccn[nH]4)c3)cc2N1C1CCOCC1
InChIInChI=1S/C24H27N7O3/c1-15-24(33)30(2)20-14-25-22(13-19(20)31(15)18-7-10-34-11-8-18)27-17-5-3-4-16(12-17)23(32)28-21-6-9-26-29-21/h3-6,9,12-15,18H,7-8,10-11H2,1-2H3,(H,25,27)(H2,26,28,29,32)
InChIKeyROJGYONDKMFRRC-UHFFFAOYSA-N
XLogP3.15
TPSA115.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.53
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[2,4-dimethyl-1-(oxan-4-yl)-3-oxo-2H-pyrido[3,4-b]pyrazin-7-yl]amino]-N-(1H-pyrazol-5-yl)benzamide?
The IUPAC name of 3-[[2,4-dimethyl-1-(oxan-4-yl)-3-oxo-2H-pyrido[3,4-b]pyrazin-7-yl]amino]-N-(1H-pyrazol-5-yl)benzamide (CID 118608663) is 3-[[2,4-dimethyl-1-(oxan-4-yl)-3-oxo-2H-pyrido[3,4-b]pyrazin-7-yl]amino]-N-(1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for 3-[[2,4-dimethyl-1-(oxan-4-yl)-3-oxo-2H-pyrido[3,4-b]pyrazin-7-yl]amino]-N-(1H-pyrazol-5-yl)benzamide?
The canonical SMILES for 3-[[2,4-dimethyl-1-(oxan-4-yl)-3-oxo-2H-pyrido[3,4-b]pyrazin-7-yl]amino]-N-(1H-pyrazol-5-yl)benzamide is CC1C(=O)N(C)c2cnc(Nc3cccc(C(=O)Nc4ccn[nH]4)c3)cc2N1C1CCOCC1.
What is the InChIKey of 3-[[2,4-dimethyl-1-(oxan-4-yl)-3-oxo-2H-pyrido[3,4-b]pyrazin-7-yl]amino]-N-(1H-pyrazol-5-yl)benzamide?
The InChIKey is ROJGYONDKMFRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O3/c1-15-24(33)30(2)20-14-25-22(13-19(20)31(15)18-7-10-34-11-8-18)27-17-5-3-4-16(12-17)23(32)28-21-6-9-26-29-21/h3-6,9,12-15,18H,7-8,10-11H2,1-2H3,(H,25,27)(H2,26,28,29,32).
What are the key properties of 3-[[2,4-dimethyl-1-(oxan-4-yl)-3-oxo-2H-pyrido[3,4-b]pyrazin-7-yl]amino]-N-(1H-pyrazol-5-yl)benzamide?
3-[[2,4-dimethyl-1-(oxan-4-yl)-3-oxo-2H-pyrido[3,4-b]pyrazin-7-yl]amino]-N-(1H-pyrazol-5-yl)benzamide has a molecular weight of 461.53 g/mol, XLogP of 3.15, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2,4-dimethyl-1-(oxan-4-yl)-3-oxo-2H-pyrido[3,4-b]pyrazin-7-yl]amino]-N-(1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 118608663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).