2-cyclopropyl-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-6-[1-(methoxymethyl)pyrazol-4-yl]morpholine

C26H27F2N7O2 — CID 166121294

IUPAC2-cyclopropyl-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-6-[1-(methoxymethyl)pyrazol-4-yl]morpholine
SMILESCOCn1cc(C2CN(c3nc(-c4ccc(F)cc4F)c4nc(C)c(C)nc4n3)CC(C3CC3)O2)cn1
InChIInChI=1S/C26H27F2N7O2/c1-14-15(2)31-25-24(30-14)23(19-7-6-18(27)8-20(19)28)32-26(33-25)34-11-21(16-4-5-16)37-22(12-34)17-9-29-35(10-17)13-36-3/h6-10,16,21-22H,4-5,11-13H2,1-3H3
InChIKeyFMAFSWAYJFDBDF-UHFFFAOYSA-N
MW507.55 g/mol
LogP4.14
Rot. Bonds6

About 2-cyclopropyl-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-6-[1-(methoxymethyl)pyrazol-4-yl]morpholine

2-cyclopropyl-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-6-[1-(methoxymethyl)pyrazol-4-yl]morpholine (PubChem CID 166121294) has the molecular formula C26H27F2N7O2 and a molecular weight of 507.55 g/mol. Its IUPAC name is 2-cyclopropyl-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-6-[1-(methoxymethyl)pyrazol-4-yl]morpholine.

Molecular Properties

Compound Name2-cyclopropyl-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-6-[1-(methoxymethyl)pyrazol-4-yl]morpholine
PubChem CID166121294
Molecular FormulaC26H27F2N7O2
Molecular Weight507.55 g/mol
Exact Mass507.22
IUPAC Name2-cyclopropyl-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-6-[1-(methoxymethyl)pyrazol-4-yl]morpholine
SMILESCOCn1cc(C2CN(c3nc(-c4ccc(F)cc4F)c4nc(C)c(C)nc4n3)CC(C3CC3)O2)cn1
InChIInChI=1S/C26H27F2N7O2/c1-14-15(2)31-25-24(30-14)23(19-7-6-18(27)8-20(19)28)32-26(33-25)34-11-21(16-4-5-16)37-22(12-34)17-9-29-35(10-17)13-36-3/h6-10,16,21-22H,4-5,11-13H2,1-3H3
InChIKeyFMAFSWAYJFDBDF-UHFFFAOYSA-N
XLogP4.14
TPSA91.08 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.55
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

(2R,6S)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-methyl-6-(1-methylpyrazol-4-yl)morpholine
CID 166121706
(2S,6R)-2-cyclopropyl-6-[1-(difluoromethyl)pyrazol-4-yl]-4-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dimethylpteridin-2-yl]morpholine
CID 166121777
(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-6,7-bis(trideuteriomethyl)pteridin-2-yl]-6-methylmorpholine
CID 166121864
(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-6-methyl-7-propylpteridin-2-yl]-6-methylmorpholine
CID 166123073
(2R,6S)-4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine
CID 157044918
(2R,6R)-4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine
CID 157045344
(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dimethylpteridin-2-yl]-6-methylmorpholine
CID 166122547
benzyl 3-[(2R,6R)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-6-methylmorpholin-2-yl]azetidine-1-carboxylate
CID 166121613
methyl 2-[2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-4-(2,4-difluorophenyl)-7-methylpyrido[2,3-d]pyrimidine-6-carboxylate
CID 177137133
ethyl 6-(4-chloro-2-fluorophenyl)-2-[(2R,6S)-2-cyclopropyl-6-(1-cyclopropylpyrazol-4-yl)morpholin-4-yl]-5-formylpyrimidine-4-carboxylate
CID 168887491
4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-1,4-oxazepane
CID 166122258
4-(4-chloro-2-fluorophenyl)-2-[(2S,6R)-2-cyclopropyl-6-(1-cyclopropylpyrazol-4-yl)morpholin-4-yl]-7-methylpyrimido[4,5-d]pyridazin-8-one
CID 168887422

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-6-[1-(methoxymethyl)pyrazol-4-yl]morpholine?
The IUPAC name of 2-cyclopropyl-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-6-[1-(methoxymethyl)pyrazol-4-yl]morpholine (CID 166121294) is 2-cyclopropyl-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-6-[1-(methoxymethyl)pyrazol-4-yl]morpholine.
What is the SMILES notation for 2-cyclopropyl-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-6-[1-(methoxymethyl)pyrazol-4-yl]morpholine?
The canonical SMILES for 2-cyclopropyl-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-6-[1-(methoxymethyl)pyrazol-4-yl]morpholine is COCn1cc(C2CN(c3nc(-c4ccc(F)cc4F)c4nc(C)c(C)nc4n3)CC(C3CC3)O2)cn1.
What is the InChIKey of 2-cyclopropyl-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-6-[1-(methoxymethyl)pyrazol-4-yl]morpholine?
The InChIKey is FMAFSWAYJFDBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F2N7O2/c1-14-15(2)31-25-24(30-14)23(19-7-6-18(27)8-20(19)28)32-26(33-25)34-11-21(16-4-5-16)37-22(12-34)17-9-29-35(10-17)13-36-3/h6-10,16,21-22H,4-5,11-13H2,1-3H3.
What are the key properties of 2-cyclopropyl-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-6-[1-(methoxymethyl)pyrazol-4-yl]morpholine?
2-cyclopropyl-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-6-[1-(methoxymethyl)pyrazol-4-yl]morpholine has a molecular weight of 507.55 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-6-[1-(methoxymethyl)pyrazol-4-yl]morpholine is sourced from PubChem (CID 166121294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).