1,3-dimethyl-7-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione

C24H24N6O3S — CID 30823849

IUPAC1,3-dimethyl-7-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2ccc(C(=O)N3CCN(Cc4csc(-c5ccccc5)n4)CC3)nc2n(C)c1=O
InChIInChI=1S/C24H24N6O3S/c1-27-20-18(22(31)28(2)24(27)33)8-9-19(26-20)23(32)30-12-10-29(11-13-30)14-17-15-34-21(25-17)16-6-4-3-5-7-16/h3-9,15H,10-14H2,1-2H3
InChIKeyUSQCAEBBKCPNEK-UHFFFAOYSA-N
MW476.56 g/mol
LogP1.71
Rot. Bonds4

About 1,3-dimethyl-7-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione

1,3-dimethyl-7-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 30823849) has the molecular formula C24H24N6O3S and a molecular weight of 476.56 g/mol. Its IUPAC name is 1,3-dimethyl-7-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-7-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID30823849
Molecular FormulaC24H24N6O3S
Molecular Weight476.56 g/mol
Exact Mass476.16
IUPAC Name1,3-dimethyl-7-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2ccc(C(=O)N3CCN(Cc4csc(-c5ccccc5)n4)CC3)nc2n(C)c1=O
InChIInChI=1S/C24H24N6O3S/c1-27-20-18(22(31)28(2)24(27)33)8-9-19(26-20)23(32)30-12-10-29(11-13-30)14-17-15-34-21(25-17)16-6-4-3-5-7-16/h3-9,15H,10-14H2,1-2H3
InChIKeyUSQCAEBBKCPNEK-UHFFFAOYSA-N
XLogP1.71
TPSA93.33 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 55683750
2,2-dimethyl-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 37274617
(3-methylthiophen-2-yl)-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 30214352
3-ethyl-1-[2-oxo-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]quinazoline-2,4-dione
CID 24608889
2-(methylamino)-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 120703470
(3-phenylfuran-2-yl)-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 24655305
3-phenyl-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 30463070
(3,4-dimethoxyphenyl)-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 30463113
[3-(dimethylamino)phenyl]-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 30086319
3-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]chromen-2-one
CID 30463145
(2,2-dichloro-1-methylcyclopropyl)-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 43045614
3-amino-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-1-one
CID 119839413

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-7-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-7-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione (CID 30823849) is 1,3-dimethyl-7-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-7-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-7-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)c2ccc(C(=O)N3CCN(Cc4csc(-c5ccccc5)n4)CC3)nc2n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-7-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is USQCAEBBKCPNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3S/c1-27-20-18(22(31)28(2)24(27)33)8-9-19(26-20)23(32)30-12-10-29(11-13-30)14-17-15-34-21(25-17)16-6-4-3-5-7-16/h3-9,15H,10-14H2,1-2H3.
What are the key properties of 1,3-dimethyl-7-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione?
1,3-dimethyl-7-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 476.56 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-7-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 30823849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).