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

C24H27FN6O3 — CID 66674169

IUPAC4-[2,4-bis(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzamide
SMILESCC1COCCN1c1nc(N2CCOCC2C)c2ccc(-c3ccc(C(N)=O)c(F)c3)nc2n1
InChIInChI=1S/C24H27FN6O3/c1-14-12-33-9-7-30(14)23-18-5-6-20(16-3-4-17(21(26)32)19(25)11-16)27-22(18)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)
InChIKeyDLQYCADNMGPWLT-UHFFFAOYSA-N
MW466.52 g/mol
LogP2.38
Rot. Bonds4

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

4-[2,4-bis(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzamide (PubChem CID 66674169) has the molecular formula C24H27FN6O3 and a molecular weight of 466.52 g/mol. Its IUPAC name is 4-[2,4-bis(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzamide.

Molecular Properties

Compound Name4-[2,4-bis(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzamide
PubChem CID66674169
Molecular FormulaC24H27FN6O3
Molecular Weight466.52 g/mol
Exact Mass466.21
IUPAC Name4-[2,4-bis(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzamide
SMILESCC1COCCN1c1nc(N2CCOCC2C)c2ccc(-c3ccc(C(N)=O)c(F)c3)nc2n1
InChIInChI=1S/C24H27FN6O3/c1-14-12-33-9-7-30(14)23-18-5-6-20(16-3-4-17(21(26)32)19(25)11-16)27-22(18)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)
InChIKeyDLQYCADNMGPWLT-UHFFFAOYSA-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 4-[2,4-bis(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzamide?
The IUPAC name of 4-[2,4-bis(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzamide (CID 66674169) is 4-[2,4-bis(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzamide.
What is the SMILES notation for 4-[2,4-bis(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzamide?
The canonical SMILES for 4-[2,4-bis(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzamide is CC1COCCN1c1nc(N2CCOCC2C)c2ccc(-c3ccc(C(N)=O)c(F)c3)nc2n1.
What is the InChIKey of 4-[2,4-bis(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzamide?
The InChIKey is DLQYCADNMGPWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN6O3/c1-14-12-33-9-7-30(14)23-18-5-6-20(16-3-4-17(21(26)32)19(25)11-16)27-22(18)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).
What are the key properties of 4-[2,4-bis(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzamide?
4-[2,4-bis(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 4-[2,4-bis(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzamide is sourced from PubChem (CID 66674169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).