4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methyl-6-morpholin-4-yl-8-prop-1-en-2-ylpyrido[4,3-d]pyrimidin-7-one

C24H26F3N5O2 — CID 164555122

IUPAC4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methyl-6-morpholin-4-yl-8-prop-1-en-2-ylpyrido[4,3-d]pyrimidin-7-one
SMILESC=C(C)c1c(=O)n(N2CCOCC2)cc2c(N[C@H](C)c3cccc(C(F)F)c3F)nc(C)nc12
InChIInChI=1S/C24H26F3N5O2/c1-13(2)19-21-18(12-32(24(19)33)31-8-10-34-11-9-31)23(30-15(4)29-21)28-14(3)16-6-5-7-17(20(16)25)22(26)27/h5-7,12,14,22H,1,8-11H2,2-4H3,(H,28,29,30)/t14-/m1/s1
InChIKeySATVXWBIEFKBAR-CQSZACIVSA-N
MW473.50 g/mol
LogP4.35
Rot. Bonds6

About 4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methyl-6-morpholin-4-yl-8-prop-1-en-2-ylpyrido[4,3-d]pyrimidin-7-one

4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methyl-6-morpholin-4-yl-8-prop-1-en-2-ylpyrido[4,3-d]pyrimidin-7-one (PubChem CID 164555122) has the molecular formula C24H26F3N5O2 and a molecular weight of 473.50 g/mol. Its IUPAC name is 4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methyl-6-morpholin-4-yl-8-prop-1-en-2-ylpyrido[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methyl-6-morpholin-4-yl-8-prop-1-en-2-ylpyrido[4,3-d]pyrimidin-7-one
PubChem CID164555122
Molecular FormulaC24H26F3N5O2
Molecular Weight473.50 g/mol
Exact Mass473.20
IUPAC Name4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methyl-6-morpholin-4-yl-8-prop-1-en-2-ylpyrido[4,3-d]pyrimidin-7-one
SMILESC=C(C)c1c(=O)n(N2CCOCC2)cc2c(N[C@H](C)c3cccc(C(F)F)c3F)nc(C)nc12
InChIInChI=1S/C24H26F3N5O2/c1-13(2)19-21-18(12-32(24(19)33)31-8-10-34-11-9-31)23(30-15(4)29-21)28-14(3)16-6-5-7-17(20(16)25)22(26)27/h5-7,12,14,22H,1,8-11H2,2-4H3,(H,28,29,30)/t14-/m1/s1
InChIKeySATVXWBIEFKBAR-CQSZACIVSA-N
XLogP4.35
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.50
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methyl-6-morpholin-4-yl-8-prop-1-en-2-ylpyrido[4,3-d]pyrimidin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methyl-6-morpholin-4-yl-8-prop-1-en-2-ylpyrido[4,3-d]pyrimidin-7-one?
The IUPAC name of 4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methyl-6-morpholin-4-yl-8-prop-1-en-2-ylpyrido[4,3-d]pyrimidin-7-one (CID 164555122) is 4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methyl-6-morpholin-4-yl-8-prop-1-en-2-ylpyrido[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methyl-6-morpholin-4-yl-8-prop-1-en-2-ylpyrido[4,3-d]pyrimidin-7-one?
The canonical SMILES for 4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methyl-6-morpholin-4-yl-8-prop-1-en-2-ylpyrido[4,3-d]pyrimidin-7-one is C=C(C)c1c(=O)n(N2CCOCC2)cc2c(N[C@H](C)c3cccc(C(F)F)c3F)nc(C)nc12.
What is the InChIKey of 4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methyl-6-morpholin-4-yl-8-prop-1-en-2-ylpyrido[4,3-d]pyrimidin-7-one?
The InChIKey is SATVXWBIEFKBAR-CQSZACIVSA-N. The full InChI is InChI=1S/C24H26F3N5O2/c1-13(2)19-21-18(12-32(24(19)33)31-8-10-34-11-9-31)23(30-15(4)29-21)28-14(3)16-6-5-7-17(20(16)25)22(26)27/h5-7,12,14,22H,1,8-11H2,2-4H3,(H,28,29,30)/t14-/m1/s1.
What are the key properties of 4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methyl-6-morpholin-4-yl-8-prop-1-en-2-ylpyrido[4,3-d]pyrimidin-7-one?
4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-2-methyl-6-morpholin-4-yl-8-prop-1-en-2-ylpyrido[4,3-d]pyrimidin-7-one has a molecular weight of 473.50 g/mol, XLogP of 4.35, 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-morpholin-4-yl-8-prop-1-en-2-ylpyrido[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 164555122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).