1,3-dimethyl-6-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione

C24H27N5O5S — CID 30596881

IUPAC1,3-dimethyl-6-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2cc(C(=O)N3CCN(S(=O)(=O)c4ccc5c(c4)CCCC5)CC3)cnc2n(C)c1=O
InChIInChI=1S/C24H27N5O5S/c1-26-21-20(23(31)27(2)24(26)32)14-18(15-25-21)22(30)28-9-11-29(12-10-28)35(33,34)19-8-7-16-5-3-4-6-17(16)13-19/h7-8,13-15H,3-6,9-12H2,1-2H3
InChIKeyOFKZUNLHKPVOOC-UHFFFAOYSA-N
MW497.58 g/mol
LogP0.66
Rot. Bonds3

About 1,3-dimethyl-6-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione

1,3-dimethyl-6-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 30596881) has the molecular formula C24H27N5O5S and a molecular weight of 497.58 g/mol. Its IUPAC name is 1,3-dimethyl-6-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID30596881
Molecular FormulaC24H27N5O5S
Molecular Weight497.58 g/mol
Exact Mass497.17
IUPAC Name1,3-dimethyl-6-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2cc(C(=O)N3CCN(S(=O)(=O)c4ccc5c(c4)CCCC5)CC3)cnc2n(C)c1=O
InChIInChI=1S/C24H27N5O5S/c1-26-21-20(23(31)27(2)24(26)32)14-18(15-25-21)22(30)28-9-11-29(12-10-28)35(33,34)19-8-7-16-5-3-4-6-17(16)13-19/h7-8,13-15H,3-6,9-12H2,1-2H3
InChIKeyOFKZUNLHKPVOOC-UHFFFAOYSA-N
XLogP0.66
TPSA114.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.58
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(2-chloro-4-pyridinyl)-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]methanone
CID 34660750
[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 8641181
(4-fluorophenyl)-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]methanone
CID 8698232
[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 110805388
1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carboxamide
CID 36525528
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methylpiperazine
CID 32737600
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide
CID 55685937
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 9368898
6-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride
CID 119644795
6-[4-(4-acetyl-2-fluorophenyl)piperazine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 30778324
1-[5-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carbonyl]-1H-pyrrol-3-yl]ethanone
CID 9088492
quinolin-5-yl-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]methanone
CID 26000710

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione (CID 30596881) is 1,3-dimethyl-6-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)c2cc(C(=O)N3CCN(S(=O)(=O)c4ccc5c(c4)CCCC5)CC3)cnc2n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-6-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is OFKZUNLHKPVOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O5S/c1-26-21-20(23(31)27(2)24(26)32)14-18(15-25-21)22(30)28-9-11-29(12-10-28)35(33,34)19-8-7-16-5-3-4-6-17(16)13-19/h7-8,13-15H,3-6,9-12H2,1-2H3.
What are the key properties of 1,3-dimethyl-6-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione?
1,3-dimethyl-6-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 497.58 g/mol, XLogP of 0.66, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 30596881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).