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

C18H21N7O3 — CID 120879994

IUPAC1,3-dimethyl-7-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1ccnc1C1CNCCN1C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1
InChIInChI=1S/C18H21N7O3/c1-22-8-7-20-15(22)13-10-19-6-9-25(13)17(27)12-5-4-11-14(21-12)23(2)18(28)24(3)16(11)26/h4-5,7-8,13,19H,6,9-10H2,1-3H3
InChIKeyKHGQRKHDPSBUOS-UHFFFAOYSA-N
MW383.41 g/mol
LogP-0.85
Rot. Bonds2

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

1,3-dimethyl-7-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 120879994) has the molecular formula C18H21N7O3 and a molecular weight of 383.41 g/mol. Its IUPAC name is 1,3-dimethyl-7-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-7-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID120879994
Molecular FormulaC18H21N7O3
Molecular Weight383.41 g/mol
Exact Mass383.17
IUPAC Name1,3-dimethyl-7-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1ccnc1C1CNCCN1C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1
InChIInChI=1S/C18H21N7O3/c1-22-8-7-20-15(22)13-10-19-6-9-25(13)17(27)12-5-4-11-14(21-12)23(2)18(28)24(3)16(11)26/h4-5,7-8,13,19H,6,9-10H2,1-3H3
InChIKeyKHGQRKHDPSBUOS-UHFFFAOYSA-N
XLogP-0.85
TPSA107.05 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1,3-dimethyl-7-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

imidazo[1,2-a]pyridin-2-yl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120877946
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120878912
imidazo[1,2-a]pyrazin-8-yl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120878426
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride
CID 120879273
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 120879634
(3,4-difluorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120880182
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone;hydrochloride
CID 120878125
1-[5-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]thiophen-2-yl]ethanone;hydrochloride
CID 120880591
(5-methylfuran-2-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120878370
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 120878312
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methylquinolin-3-yl)methanone
CID 120877926
(3,5-dichlorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120880230

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-7-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-7-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione (CID 120879994) is 1,3-dimethyl-7-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-7-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-7-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione is Cn1ccnc1C1CNCCN1C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1.
What is the InChIKey of 1,3-dimethyl-7-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is KHGQRKHDPSBUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O3/c1-22-8-7-20-15(22)13-10-19-6-9-25(13)17(27)12-5-4-11-14(21-12)23(2)18(28)24(3)16(11)26/h4-5,7-8,13,19H,6,9-10H2,1-3H3.
What are the key properties of 1,3-dimethyl-7-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione?
1,3-dimethyl-7-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 383.41 g/mol, XLogP of -0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-7-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 120879994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).