N-[1-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide

C23H24N6O3 — CID 166201771

IUPACN-[1-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCc1cc(C)cc(-n2nc(NC(=O)c3cc(C)c4c(=O)n(C)c(=O)n(C)c4n3)cc2C)c1
InChIInChI=1S/C23H24N6O3/c1-12-7-13(2)9-16(8-12)29-15(4)11-18(26-29)25-21(30)17-10-14(3)19-20(24-17)27(5)23(32)28(6)22(19)31/h7-11H,1-6H3,(H,25,26,30)
InChIKeyYPMAJDNJILXXMI-UHFFFAOYSA-N
MW432.48 g/mol
LogP2.30
Rot. Bonds3

About N-[1-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide

N-[1-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide (PubChem CID 166201771) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is N-[1-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
PubChem CID166201771
Molecular FormulaC23H24N6O3
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC NameN-[1-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCc1cc(C)cc(-n2nc(NC(=O)c3cc(C)c4c(=O)n(C)c(=O)n(C)c4n3)cc2C)c1
InChIInChI=1S/C23H24N6O3/c1-12-7-13(2)9-16(8-12)29-15(4)11-18(26-29)25-21(30)17-10-14(3)19-20(24-17)27(5)23(32)28(6)22(19)31/h7-11H,1-6H3,(H,25,26,30)
InChIKeyYPMAJDNJILXXMI-UHFFFAOYSA-N
XLogP2.30
TPSA103.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of N-[1-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide (CID 166201771) is N-[1-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[1-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-[1-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide is Cc1cc(C)cc(-n2nc(NC(=O)c3cc(C)c4c(=O)n(C)c(=O)n(C)c4n3)cc2C)c1.
What is the InChIKey of N-[1-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is YPMAJDNJILXXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3/c1-12-7-13(2)9-16(8-12)29-15(4)11-18(26-29)25-21(30)17-10-14(3)19-20(24-17)27(5)23(32)28(6)22(19)31/h7-11H,1-6H3,(H,25,26,30).
What are the key properties of N-[1-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
N-[1-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 432.48 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 166201771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).