4-[4-[2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]-2-methylpiperazin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

C25H33ClN6O2 — CID 175357847

IUPAC4-[4-[2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]-2-methylpiperazin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESCC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC(=O)N3)C(C)C1)c1ccc(Cl)cc1
InChIInChI=1S/C25H33ClN6O2/c1-15(2)27-12-20(18-5-7-19(26)8-6-18)25(34)31-9-10-32(17(4)13-31)24-22-16(3)11-21(33)30-23(22)28-14-29-24/h5-8,14-17,20,27H,9-13H2,1-4H3,(H,28,29,30,33)
InChIKeyFOPGPDSJULLECN-UHFFFAOYSA-N
MW485.03 g/mol
LogP3.39
Rot. Bonds6

About 4-[4-[2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]-2-methylpiperazin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

4-[4-[2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]-2-methylpiperazin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 175357847) has the molecular formula C25H33ClN6O2 and a molecular weight of 485.03 g/mol. Its IUPAC name is 4-[4-[2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]-2-methylpiperazin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-[4-[2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]-2-methylpiperazin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID175357847
Molecular FormulaC25H33ClN6O2
Molecular Weight485.03 g/mol
Exact Mass484.24
IUPAC Name4-[4-[2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]-2-methylpiperazin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESCC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC(=O)N3)C(C)C1)c1ccc(Cl)cc1
InChIInChI=1S/C25H33ClN6O2/c1-15(2)27-12-20(18-5-7-19(26)8-6-18)25(34)31-9-10-32(17(4)13-31)24-22-16(3)11-21(33)30-23(22)28-14-29-24/h5-8,14-17,20,27H,9-13H2,1-4H3,(H,28,29,30,33)
InChIKeyFOPGPDSJULLECN-UHFFFAOYSA-N
XLogP3.39
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.03
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]-2-methylpiperazin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-[4-[2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]-2-methylpiperazin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (CID 175357847) is 4-[4-[2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]-2-methylpiperazin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-[4-[2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]-2-methylpiperazin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-[4-[2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]-2-methylpiperazin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC(=O)N3)C(C)C1)c1ccc(Cl)cc1.
What is the InChIKey of 4-[4-[2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]-2-methylpiperazin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is FOPGPDSJULLECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33ClN6O2/c1-15(2)27-12-20(18-5-7-19(26)8-6-18)25(34)31-9-10-32(17(4)13-31)24-22-16(3)11-21(33)30-23(22)28-14-29-24/h5-8,14-17,20,27H,9-13H2,1-4H3,(H,28,29,30,33).
What are the key properties of 4-[4-[2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]-2-methylpiperazin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
4-[4-[2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]-2-methylpiperazin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 485.03 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]-2-methylpiperazin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 175357847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).