4-[7-[3-(hydroxymethyl)-4-methoxyphenyl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]piperazin-2-one

C24H28N6O4 — CID 24999736

IUPAC4-[7-[3-(hydroxymethyl)-4-methoxyphenyl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]piperazin-2-one
SMILESCOc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCNC(=O)C4)nc3n2)cc1CO
InChIInChI=1S/C24H28N6O4/c1-15-14-34-10-9-30(15)23-18-4-5-19(16-3-6-20(33-2)17(11-16)13-31)26-22(18)27-24(28-23)29-8-7-25-21(32)12-29/h3-6,11,15,31H,7-10,12-14H2,1-2H3,(H,25,32)/t15-/m0/s1
InChIKeyAYMFOFYDVCDELI-HNNXBMFYSA-N
MW464.53 g/mol
LogP1.35
Rot. Bonds5

About 4-[7-[3-(hydroxymethyl)-4-methoxyphenyl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]piperazin-2-one

4-[7-[3-(hydroxymethyl)-4-methoxyphenyl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]piperazin-2-one (PubChem CID 24999736) has the molecular formula C24H28N6O4 and a molecular weight of 464.53 g/mol. Its IUPAC name is 4-[7-[3-(hydroxymethyl)-4-methoxyphenyl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]piperazin-2-one.

Molecular Properties

Compound Name4-[7-[3-(hydroxymethyl)-4-methoxyphenyl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]piperazin-2-one
PubChem CID24999736
Molecular FormulaC24H28N6O4
Molecular Weight464.53 g/mol
Exact Mass464.22
IUPAC Name4-[7-[3-(hydroxymethyl)-4-methoxyphenyl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]piperazin-2-one
SMILESCOc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCNC(=O)C4)nc3n2)cc1CO
InChIInChI=1S/C24H28N6O4/c1-15-14-34-10-9-30(15)23-18-4-5-19(16-3-6-20(33-2)17(11-16)13-31)26-22(18)27-24(28-23)29-8-7-25-21(32)12-29/h3-6,11,15,31H,7-10,12-14H2,1-2H3,(H,25,32)/t15-/m0/s1
InChIKeyAYMFOFYDVCDELI-HNNXBMFYSA-N
XLogP1.35
TPSA112.94 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[7-[3-(hydroxymethyl)-4-methoxyphenyl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]piperazin-2-one?
The IUPAC name of 4-[7-[3-(hydroxymethyl)-4-methoxyphenyl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]piperazin-2-one (CID 24999736) is 4-[7-[3-(hydroxymethyl)-4-methoxyphenyl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]piperazin-2-one.
What is the SMILES notation for 4-[7-[3-(hydroxymethyl)-4-methoxyphenyl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]piperazin-2-one?
The canonical SMILES for 4-[7-[3-(hydroxymethyl)-4-methoxyphenyl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]piperazin-2-one is COc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCNC(=O)C4)nc3n2)cc1CO.
What is the InChIKey of 4-[7-[3-(hydroxymethyl)-4-methoxyphenyl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]piperazin-2-one?
The InChIKey is AYMFOFYDVCDELI-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H28N6O4/c1-15-14-34-10-9-30(15)23-18-4-5-19(16-3-6-20(33-2)17(11-16)13-31)26-22(18)27-24(28-23)29-8-7-25-21(32)12-29/h3-6,11,15,31H,7-10,12-14H2,1-2H3,(H,25,32)/t15-/m0/s1.
What are the key properties of 4-[7-[3-(hydroxymethyl)-4-methoxyphenyl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]piperazin-2-one?
4-[7-[3-(hydroxymethyl)-4-methoxyphenyl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]piperazin-2-one has a molecular weight of 464.53 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[3-(hydroxymethyl)-4-methoxyphenyl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]piperazin-2-one is sourced from PubChem (CID 24999736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).