methyl 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]pyridine-3-carboxylate

C24H28N6O4 — CID 59703429

IUPACmethyl 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1cncc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)c1
InChIInChI=1S/C24H28N6O4/c1-15-13-33-8-6-29(15)22-19-4-5-20(17-10-18(12-25-11-17)23(31)32-3)26-21(19)27-24(28-22)30-7-9-34-14-16(30)2/h4-5,10-12,15-16H,6-9,13-14H2,1-3H3/t15-,16-/m0/s1
InChIKeyQZJZDSUNECCCET-HOTGVXAUSA-N
MW464.53 g/mol
LogP2.32
Rot. Bonds4

About methyl 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]pyridine-3-carboxylate

methyl 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]pyridine-3-carboxylate (PubChem CID 59703429) has the molecular formula C24H28N6O4 and a molecular weight of 464.53 g/mol. Its IUPAC name is methyl 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]pyridine-3-carboxylate
PubChem CID59703429
Molecular FormulaC24H28N6O4
Molecular Weight464.53 g/mol
Exact Mass464.22
IUPAC Namemethyl 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1cncc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)c1
InChIInChI=1S/C24H28N6O4/c1-15-13-33-8-6-29(15)22-19-4-5-20(17-10-18(12-25-11-17)23(31)32-3)26-21(19)27-24(28-22)30-7-9-34-14-16(30)2/h4-5,10-12,15-16H,6-9,13-14H2,1-3H3/t15-,16-/m0/s1
InChIKeyQZJZDSUNECCCET-HOTGVXAUSA-N
XLogP2.32
TPSA102.80 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze methyl 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]pyridine-3-carboxylate?
The IUPAC name of methyl 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]pyridine-3-carboxylate (CID 59703429) is methyl 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]pyridine-3-carboxylate is COC(=O)c1cncc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)c1.
What is the InChIKey of methyl 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]pyridine-3-carboxylate?
The InChIKey is QZJZDSUNECCCET-HOTGVXAUSA-N. The full InChI is InChI=1S/C24H28N6O4/c1-15-13-33-8-6-29(15)22-19-4-5-20(17-10-18(12-25-11-17)23(31)32-3)26-21(19)27-24(28-22)30-7-9-34-14-16(30)2/h4-5,10-12,15-16H,6-9,13-14H2,1-3H3/t15-,16-/m0/s1.
What are the key properties of methyl 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]pyridine-3-carboxylate?
methyl 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]pyridine-3-carboxylate has a molecular weight of 464.53 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]pyridine-3-carboxylate is sourced from PubChem (CID 59703429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).