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

C24H27FN6O3 — CID 57441859

IUPAC5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzamide
SMILESC[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc(F)c(C(N)=O)c3)nc2n1
InChIInChI=1S/C24H27FN6O3/c1-14-12-33-9-7-30(14)23-17-4-6-20(16-3-5-19(25)18(11-16)21(26)32)27-22(17)28-24(29-23)31-8-10-34-13-15(31)2/h3-6,11,14-15H,7-10,12-13H2,1-2H3,(H2,26,32)/t14-,15-/m0/s1
InChIKeySJGTXQFEIFRMAW-GJZGRUSLSA-N
MW466.52 g/mol
LogP2.38
Rot. Bonds4

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

5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzamide (PubChem CID 57441859) has the molecular formula C24H27FN6O3 and a molecular weight of 466.52 g/mol. Its IUPAC name is 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzamide
PubChem CID57441859
Molecular FormulaC24H27FN6O3
Molecular Weight466.52 g/mol
Exact Mass466.21
IUPAC Name5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzamide
SMILESC[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc(F)c(C(N)=O)c3)nc2n1
InChIInChI=1S/C24H27FN6O3/c1-14-12-33-9-7-30(14)23-17-4-6-20(16-3-5-19(25)18(11-16)21(26)32)27-22(17)28-24(29-23)31-8-10-34-13-15(31)2/h3-6,11,14-15H,7-10,12-13H2,1-2H3,(H2,26,32)/t14-,15-/m0/s1
InChIKeySJGTXQFEIFRMAW-GJZGRUSLSA-N
XLogP2.38
TPSA106.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.52
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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]-2-fluorobenzamide?
The IUPAC name of 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzamide (CID 57441859) is 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzamide.
What is the SMILES notation for 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzamide?
The canonical SMILES for 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzamide is C[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc(F)c(C(N)=O)c3)nc2n1.
What is the InChIKey of 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzamide?
The InChIKey is SJGTXQFEIFRMAW-GJZGRUSLSA-N. The full InChI is InChI=1S/C24H27FN6O3/c1-14-12-33-9-7-30(14)23-17-4-6-20(16-3-5-19(25)18(11-16)21(26)32)27-22(17)28-24(29-23)31-8-10-34-13-15(31)2/h3-6,11,14-15H,7-10,12-13H2,1-2H3,(H2,26,32)/t14-,15-/m0/s1.
What are the key properties of 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzamide?
5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzamide has a molecular weight of 466.52 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 8 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]-2-fluorobenzamide is sourced from PubChem (CID 57441859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).