5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione

C27H35N5O3 — CID 39322932

IUPAC5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1cccc(CN2CCN(C(=O)c3cc(C(C)C)nc4c3c(=O)[nH]c(=O)n4CC(C)C)CC2)c1
InChIInChI=1S/C27H35N5O3/c1-17(2)15-32-24-23(25(33)29-27(32)35)21(14-22(28-24)18(3)4)26(34)31-11-9-30(10-12-31)16-20-8-6-7-19(5)13-20/h6-8,13-14,17-18H,9-12,15-16H2,1-5H3,(H,29,33,35)
InChIKeyPOGPLTMVRQVKTH-UHFFFAOYSA-N
MW477.61 g/mol
LogP3.13
Rot. Bonds6

About 5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione

5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 39322932) has the molecular formula C27H35N5O3 and a molecular weight of 477.61 g/mol. Its IUPAC name is 5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID39322932
Molecular FormulaC27H35N5O3
Molecular Weight477.61 g/mol
Exact Mass477.27
IUPAC Name5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1cccc(CN2CCN(C(=O)c3cc(C(C)C)nc4c3c(=O)[nH]c(=O)n4CC(C)C)CC2)c1
InChIInChI=1S/C27H35N5O3/c1-17(2)15-32-24-23(25(33)29-27(32)35)21(14-22(28-24)18(3)4)26(34)31-11-9-30(10-12-31)16-20-8-6-7-19(5)13-20/h6-8,13-14,17-18H,9-12,15-16H2,1-5H3,(H,29,33,35)
InChIKeyPOGPLTMVRQVKTH-UHFFFAOYSA-N
XLogP3.13
TPSA91.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.61
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-methylpiperazine-1-carbonyl)-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride
CID 119576449
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
1-ethyl-5-[4-(4-methylpentanoyl)piperazine-1-carbonyl]-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
CID 55977629
1-(2-methylpropyl)-2,4-dioxo-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 55599807
N-[2-[1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbonyl]-3,4-dihydro-1H-isoquinolin-5-yl]methanesulfonamide
CID 166323090
1-ethyl-7-propan-2-yl-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 39297806
5-(4-methyl-1,4-diazepane-1-carbonyl)-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione
CID 78851788
7-propan-2-yl-1-propyl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 55577543
1-ethyl-5-[4-(methylamino)piperidine-1-carbonyl]-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
CID 119563336
1-(2-methylpropyl)-5-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
CID 55984527
N-(cyclopropylmethyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 37036301
N-(2-aminoethyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 119382183

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione (CID 39322932) is 5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione is Cc1cccc(CN2CCN(C(=O)c3cc(C(C)C)nc4c3c(=O)[nH]c(=O)n4CC(C)C)CC2)c1.
What is the InChIKey of 5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is POGPLTMVRQVKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O3/c1-17(2)15-32-24-23(25(33)29-27(32)35)21(14-22(28-24)18(3)4)26(34)31-11-9-30(10-12-31)16-20-8-6-7-19(5)13-20/h6-8,13-14,17-18H,9-12,15-16H2,1-5H3,(H,29,33,35).
What are the key properties of 5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione?
5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 477.61 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 39322932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).