3-chloro-4-[(5-fluoropyrimidin-4-yl)methoxy]-6-methyl-1-[5-methyl-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one

C24H22ClFN6O2 — CID 123928085

IUPAC3-chloro-4-[(5-fluoropyrimidin-4-yl)methoxy]-6-methyl-1-[5-methyl-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one
SMILESCc1cnc(-c2ccnc(C(C)C)n2)cc1-n1c(C)cc(OCc2ncncc2F)c(Cl)c1=O
InChIInChI=1S/C24H22ClFN6O2/c1-13(2)23-28-6-5-17(31-23)18-8-20(14(3)9-29-18)32-15(4)7-21(22(25)24(32)33)34-11-19-16(26)10-27-12-30-19/h5-10,12-13H,11H2,1-4H3
InChIKeyPTCXURPCPVEHGP-UHFFFAOYSA-N
MW480.93 g/mol
LogP4.59
Rot. Bonds6

About 3-chloro-4-[(5-fluoropyrimidin-4-yl)methoxy]-6-methyl-1-[5-methyl-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one

3-chloro-4-[(5-fluoropyrimidin-4-yl)methoxy]-6-methyl-1-[5-methyl-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one (PubChem CID 123928085) has the molecular formula C24H22ClFN6O2 and a molecular weight of 480.93 g/mol. Its IUPAC name is 3-chloro-4-[(5-fluoropyrimidin-4-yl)methoxy]-6-methyl-1-[5-methyl-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one.

Molecular Properties

Compound Name3-chloro-4-[(5-fluoropyrimidin-4-yl)methoxy]-6-methyl-1-[5-methyl-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one
PubChem CID123928085
Molecular FormulaC24H22ClFN6O2
Molecular Weight480.93 g/mol
Exact Mass480.15
IUPAC Name3-chloro-4-[(5-fluoropyrimidin-4-yl)methoxy]-6-methyl-1-[5-methyl-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one
SMILESCc1cnc(-c2ccnc(C(C)C)n2)cc1-n1c(C)cc(OCc2ncncc2F)c(Cl)c1=O
InChIInChI=1S/C24H22ClFN6O2/c1-13(2)23-28-6-5-17(31-23)18-8-20(14(3)9-29-18)32-15(4)7-21(22(25)24(32)33)34-11-19-16(26)10-27-12-30-19/h5-10,12-13H,11H2,1-4H3
InChIKeyPTCXURPCPVEHGP-UHFFFAOYSA-N
XLogP4.59
TPSA95.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.93
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(5-fluoropyrimidin-4-yl)methoxy]-6-methyl-1-[5-methyl-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one?
The IUPAC name of 3-chloro-4-[(5-fluoropyrimidin-4-yl)methoxy]-6-methyl-1-[5-methyl-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one (CID 123928085) is 3-chloro-4-[(5-fluoropyrimidin-4-yl)methoxy]-6-methyl-1-[5-methyl-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one.
What is the SMILES notation for 3-chloro-4-[(5-fluoropyrimidin-4-yl)methoxy]-6-methyl-1-[5-methyl-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one?
The canonical SMILES for 3-chloro-4-[(5-fluoropyrimidin-4-yl)methoxy]-6-methyl-1-[5-methyl-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one is Cc1cnc(-c2ccnc(C(C)C)n2)cc1-n1c(C)cc(OCc2ncncc2F)c(Cl)c1=O.
What is the InChIKey of 3-chloro-4-[(5-fluoropyrimidin-4-yl)methoxy]-6-methyl-1-[5-methyl-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one?
The InChIKey is PTCXURPCPVEHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClFN6O2/c1-13(2)23-28-6-5-17(31-23)18-8-20(14(3)9-29-18)32-15(4)7-21(22(25)24(32)33)34-11-19-16(26)10-27-12-30-19/h5-10,12-13H,11H2,1-4H3.
What are the key properties of 3-chloro-4-[(5-fluoropyrimidin-4-yl)methoxy]-6-methyl-1-[5-methyl-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one?
3-chloro-4-[(5-fluoropyrimidin-4-yl)methoxy]-6-methyl-1-[5-methyl-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one has a molecular weight of 480.93 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(5-fluoropyrimidin-4-yl)methoxy]-6-methyl-1-[5-methyl-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one is sourced from PubChem (CID 123928085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).