5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-ethyl-2-methoxy-N-methylbenzamide

C28H36N6O4 — CID 57441947

IUPAC5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-ethyl-2-methoxy-N-methylbenzamide
SMILESCCN(C)C(=O)c1cc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)ccc1OC
InChIInChI=1S/C28H36N6O4/c1-6-32(4)27(35)22-15-20(7-10-24(22)36-5)23-9-8-21-25(29-23)30-28(34-12-14-38-17-19(34)3)31-26(21)33-11-13-37-16-18(33)2/h7-10,15,18-19H,6,11-14,16-17H2,1-5H3/t18-,19-/m0/s1
InChIKeyULCYWMRIURUCDF-OALUTQOASA-N
MW520.63 g/mol
LogP3.24
Rot. Bonds6

About 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-ethyl-2-methoxy-N-methylbenzamide

5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-ethyl-2-methoxy-N-methylbenzamide (PubChem CID 57441947) has the molecular formula C28H36N6O4 and a molecular weight of 520.63 g/mol. Its IUPAC name is 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-ethyl-2-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-ethyl-2-methoxy-N-methylbenzamide
PubChem CID57441947
Molecular FormulaC28H36N6O4
Molecular Weight520.63 g/mol
Exact Mass520.28
IUPAC Name5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-ethyl-2-methoxy-N-methylbenzamide
SMILESCCN(C)C(=O)c1cc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)ccc1OC
InChIInChI=1S/C28H36N6O4/c1-6-32(4)27(35)22-15-20(7-10-24(22)36-5)23-9-8-21-25(29-23)30-28(34-12-14-38-17-19(34)3)31-26(21)33-11-13-37-16-18(33)2/h7-10,15,18-19H,6,11-14,16-17H2,1-5H3/t18-,19-/m0/s1
InChIKeyULCYWMRIURUCDF-OALUTQOASA-N
XLogP3.24
TPSA93.15 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.63
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-ethyl-2-methoxy-N-methylbenzamide?
The IUPAC name of 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-ethyl-2-methoxy-N-methylbenzamide (CID 57441947) is 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-ethyl-2-methoxy-N-methylbenzamide.
What is the SMILES notation for 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-ethyl-2-methoxy-N-methylbenzamide?
The canonical SMILES for 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-ethyl-2-methoxy-N-methylbenzamide is CCN(C)C(=O)c1cc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)ccc1OC.
What is the InChIKey of 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-ethyl-2-methoxy-N-methylbenzamide?
The InChIKey is ULCYWMRIURUCDF-OALUTQOASA-N. The full InChI is InChI=1S/C28H36N6O4/c1-6-32(4)27(35)22-15-20(7-10-24(22)36-5)23-9-8-21-25(29-23)30-28(34-12-14-38-17-19(34)3)31-26(21)33-11-13-37-16-18(33)2/h7-10,15,18-19H,6,11-14,16-17H2,1-5H3/t18-,19-/m0/s1.
What are the key properties of 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-ethyl-2-methoxy-N-methylbenzamide?
5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-ethyl-2-methoxy-N-methylbenzamide has a molecular weight of 520.63 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-ethyl-2-methoxy-N-methylbenzamide is sourced from PubChem (CID 57441947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).