1-ethyl-5-[4-(4-methylpentanoyl)piperazine-1-carbonyl]-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione

C23H33N5O4 — CID 55977629

IUPAC1-ethyl-5-[4-(4-methylpentanoyl)piperazine-1-carbonyl]-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCn1c(=O)[nH]c(=O)c2c(C(=O)N3CCN(C(=O)CCC(C)C)CC3)cc(C(C)C)nc21
InChIInChI=1S/C23H33N5O4/c1-6-28-20-19(21(30)25-23(28)32)16(13-17(24-20)15(4)5)22(31)27-11-9-26(10-12-27)18(29)8-7-14(2)3/h13-15H,6-12H2,1-5H3,(H,25,30,32)
InChIKeyGSFYOBQBKCMFMA-UHFFFAOYSA-N
MW443.55 g/mol
LogP1.95
Rot. Bonds6

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

1-ethyl-5-[4-(4-methylpentanoyl)piperazine-1-carbonyl]-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 55977629) has the molecular formula C23H33N5O4 and a molecular weight of 443.55 g/mol. Its IUPAC name is 1-ethyl-5-[4-(4-methylpentanoyl)piperazine-1-carbonyl]-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-ethyl-5-[4-(4-methylpentanoyl)piperazine-1-carbonyl]-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID55977629
Molecular FormulaC23H33N5O4
Molecular Weight443.55 g/mol
Exact Mass443.25
IUPAC Name1-ethyl-5-[4-(4-methylpentanoyl)piperazine-1-carbonyl]-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCn1c(=O)[nH]c(=O)c2c(C(=O)N3CCN(C(=O)CCC(C)C)CC3)cc(C(C)C)nc21
InChIInChI=1S/C23H33N5O4/c1-6-28-20-19(21(30)25-23(28)32)16(13-17(24-20)15(4)5)22(31)27-11-9-26(10-12-27)18(29)8-7-14(2)3/h13-15H,6-12H2,1-5H3,(H,25,30,32)
InChIKeyGSFYOBQBKCMFMA-UHFFFAOYSA-N
XLogP1.95
TPSA108.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[4-(4-methylpentanoyl)piperazine-1-carbonyl]-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-ethyl-5-[4-(4-methylpentanoyl)piperazine-1-carbonyl]-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione (CID 55977629) is 1-ethyl-5-[4-(4-methylpentanoyl)piperazine-1-carbonyl]-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-ethyl-5-[4-(4-methylpentanoyl)piperazine-1-carbonyl]-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-ethyl-5-[4-(4-methylpentanoyl)piperazine-1-carbonyl]-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione is CCn1c(=O)[nH]c(=O)c2c(C(=O)N3CCN(C(=O)CCC(C)C)CC3)cc(C(C)C)nc21.
What is the InChIKey of 1-ethyl-5-[4-(4-methylpentanoyl)piperazine-1-carbonyl]-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is GSFYOBQBKCMFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O4/c1-6-28-20-19(21(30)25-23(28)32)16(13-17(24-20)15(4)5)22(31)27-11-9-26(10-12-27)18(29)8-7-14(2)3/h13-15H,6-12H2,1-5H3,(H,25,30,32).
What are the key properties of 1-ethyl-5-[4-(4-methylpentanoyl)piperazine-1-carbonyl]-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione?
1-ethyl-5-[4-(4-methylpentanoyl)piperazine-1-carbonyl]-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 443.55 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[4-(4-methylpentanoyl)piperazine-1-carbonyl]-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 55977629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).