7-propan-2-yl-1-propyl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione

C23H28N6O3 — CID 55577543

IUPAC7-propan-2-yl-1-propyl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCCn1c(=O)[nH]c(=O)c2c(C(=O)N3CCN(c4ccccn4)CC3)cc(C(C)C)nc21
InChIInChI=1S/C23H28N6O3/c1-4-9-29-20-19(21(30)26-23(29)32)16(14-17(25-20)15(2)3)22(31)28-12-10-27(11-13-28)18-7-5-6-8-24-18/h5-8,14-15H,4,9-13H2,1-3H3,(H,26,30,32)
InChIKeySYILMKIZHXKUQU-UHFFFAOYSA-N
MW436.52 g/mol
LogP1.98
Rot. Bonds5

About 7-propan-2-yl-1-propyl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione

7-propan-2-yl-1-propyl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 55577543) has the molecular formula C23H28N6O3 and a molecular weight of 436.52 g/mol. Its IUPAC name is 7-propan-2-yl-1-propyl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-propan-2-yl-1-propyl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID55577543
Molecular FormulaC23H28N6O3
Molecular Weight436.52 g/mol
Exact Mass436.22
IUPAC Name7-propan-2-yl-1-propyl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCCn1c(=O)[nH]c(=O)c2c(C(=O)N3CCN(c4ccccn4)CC3)cc(C(C)C)nc21
InChIInChI=1S/C23H28N6O3/c1-4-9-29-20-19(21(30)26-23(29)32)16(14-17(25-20)15(2)3)22(31)28-12-10-27(11-13-28)18-7-5-6-8-24-18/h5-8,14-15H,4,9-13H2,1-3H3,(H,26,30,32)
InChIKeySYILMKIZHXKUQU-UHFFFAOYSA-N
XLogP1.98
TPSA104.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-propan-2-yl-1-propyl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione with MolForge

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Launch Full Analysis

Related Compounds

1-ethyl-7-propan-2-yl-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 39297806
5-(2-methylmorpholine-4-carbonyl)-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione
CID 134054087
1-ethyl-5-[4-(4-methylpentanoyl)piperazine-1-carbonyl]-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
CID 55977629
2,4-dioxo-7-propan-2-yl-1-propyl-N-(4-pyrimidin-2-yloxyphenyl)pyrido[2,3-d]pyrimidine-5-carboxamide
CID 55826851
5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
CID 39322932
N-(3-chlorophenyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 55568821
1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxylic acid
CID 18802061
3-methyl-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]sulfanyl-7-propan-2-yl-1-propylpyrimido[4,5-d]pyrimidine-2,4-dione
CID 55401865
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
CID 52649591
5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
CID 39686372
2,4-dioxo-N-piperidin-3-yl-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride
CID 119427769
2,4-dioxo-N-(piperidin-3-ylmethyl)-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride
CID 119463221

Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yl-1-propyl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-propan-2-yl-1-propyl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 55577543) is 7-propan-2-yl-1-propyl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-propan-2-yl-1-propyl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-propan-2-yl-1-propyl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione is CCCn1c(=O)[nH]c(=O)c2c(C(=O)N3CCN(c4ccccn4)CC3)cc(C(C)C)nc21.
What is the InChIKey of 7-propan-2-yl-1-propyl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is SYILMKIZHXKUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O3/c1-4-9-29-20-19(21(30)26-23(29)32)16(14-17(25-20)15(2)3)22(31)28-12-10-27(11-13-28)18-7-5-6-8-24-18/h5-8,14-15H,4,9-13H2,1-3H3,(H,26,30,32).
What are the key properties of 7-propan-2-yl-1-propyl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione?
7-propan-2-yl-1-propyl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 436.52 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-1-propyl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 55577543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).