4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methyl-6-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)pyrido[4,3-d]pyrimidin-7-one

C26H28F3N5O2 — CID 138750802

IUPAC4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methyl-6-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)pyrido[4,3-d]pyrimidin-7-one
SMILESCc1nc(N[C@H](C)c2cccc(C(F)F)c2F)c2cn(C34CC(N5CCOCC5)(C3)C4)c(=O)cc2n1
InChIInChI=1S/C26H28F3N5O2/c1-15(17-4-3-5-18(22(17)27)23(28)29)30-24-19-11-34(21(35)10-20(19)31-16(2)32-24)26-12-25(13-26,14-26)33-6-8-36-9-7-33/h3-5,10-11,15,23H,6-9,12-14H2,1-2H3,(H,30,31,32)/t15-,25?,26?/m1/s1
InChIKeyOIXVIIXAMVIVCA-ZDASPYBPSA-N
MW499.54 g/mol
LogP4.31
Rot. Bonds6

About 4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methyl-6-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)pyrido[4,3-d]pyrimidin-7-one

4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methyl-6-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)pyrido[4,3-d]pyrimidin-7-one (PubChem CID 138750802) has the molecular formula C26H28F3N5O2 and a molecular weight of 499.54 g/mol. Its IUPAC name is 4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methyl-6-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)pyrido[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methyl-6-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)pyrido[4,3-d]pyrimidin-7-one
PubChem CID138750802
Molecular FormulaC26H28F3N5O2
Molecular Weight499.54 g/mol
Exact Mass499.22
IUPAC Name4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methyl-6-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)pyrido[4,3-d]pyrimidin-7-one
SMILESCc1nc(N[C@H](C)c2cccc(C(F)F)c2F)c2cn(C34CC(N5CCOCC5)(C3)C4)c(=O)cc2n1
InChIInChI=1S/C26H28F3N5O2/c1-15(17-4-3-5-18(22(17)27)23(28)29)30-24-19-11-34(21(35)10-20(19)31-16(2)32-24)26-12-25(13-26,14-26)33-6-8-36-9-7-33/h3-5,10-11,15,23H,6-9,12-14H2,1-2H3,(H,30,31,32)/t15-,25?,26?/m1/s1
InChIKeyOIXVIIXAMVIVCA-ZDASPYBPSA-N
XLogP4.31
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.54
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methyl-6-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)pyrido[4,3-d]pyrimidin-7-one with MolForge

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Related Compounds

7-methyl-2-morpholin-4-yl-9-[[(1R)-1-phenylethyl]amino]pyrido[1,2-a]pyrimidin-4-one
CID 10021687
7-methyl-2-morpholin-4-yl-9-[[(1S)-1-phenylethyl]amino]pyrido[1,2-a]pyrimidin-4-one
CID 59753763
7-Methyl-9-[(3-methylphenyl)methylamino]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 68547896
US10829487, Example I-40
CID 138750522
US10829487, Example I-36
CID 138750559
US10829487, Example I-97
CID 138750561
US10829487, Example I-32
CID 138750566
US10829487, Example I-100
CID 138750567
US10829487, Example I-10
CID 138750568
US10829487, Example I-72
CID 138750571
US10829487, Example I-52
CID 138750573
US10829487, Example I-70
CID 138750577

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methyl-6-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)pyrido[4,3-d]pyrimidin-7-one?
The IUPAC name of 4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methyl-6-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)pyrido[4,3-d]pyrimidin-7-one (CID 138750802) is 4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methyl-6-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)pyrido[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methyl-6-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)pyrido[4,3-d]pyrimidin-7-one?
The canonical SMILES for 4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methyl-6-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)pyrido[4,3-d]pyrimidin-7-one is Cc1nc(N[C@H](C)c2cccc(C(F)F)c2F)c2cn(C34CC(N5CCOCC5)(C3)C4)c(=O)cc2n1.
What is the InChIKey of 4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methyl-6-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)pyrido[4,3-d]pyrimidin-7-one?
The InChIKey is OIXVIIXAMVIVCA-ZDASPYBPSA-N. The full InChI is InChI=1S/C26H28F3N5O2/c1-15(17-4-3-5-18(22(17)27)23(28)29)30-24-19-11-34(21(35)10-20(19)31-16(2)32-24)26-12-25(13-26,14-26)33-6-8-36-9-7-33/h3-5,10-11,15,23H,6-9,12-14H2,1-2H3,(H,30,31,32)/t15-,25?,26?/m1/s1.
What are the key properties of 4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methyl-6-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)pyrido[4,3-d]pyrimidin-7-one?
4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methyl-6-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)pyrido[4,3-d]pyrimidin-7-one has a molecular weight of 499.54 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methyl-6-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)pyrido[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 138750802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).