methyl 2-[2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-4-(2,4-difluorophenyl)-7-methylpyrido[2,3-d]pyrimidine-6-carboxylate

C27H26F2N6O3 — CID 177137133

IUPACmethyl 2-[2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-4-(2,4-difluorophenyl)-7-methylpyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1cc2c(-c3ccc(F)cc3F)nc(N3CC(C)OC(c4cnn(C5CC5)c4)C3)nc2nc1C
InChIInChI=1S/C27H26F2N6O3/c1-14-11-34(13-23(38-14)16-10-30-35(12-16)18-5-6-18)27-32-24(19-7-4-17(28)8-22(19)29)21-9-20(26(36)37-3)15(2)31-25(21)33-27/h4,7-10,12,14,18,23H,5-6,11,13H2,1-3H3
InChIKeyLRTDUUXTAXRRJR-UHFFFAOYSA-N
MW520.54 g/mol
LogP4.56
Rot. Bonds5

About methyl 2-[2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-4-(2,4-difluorophenyl)-7-methylpyrido[2,3-d]pyrimidine-6-carboxylate

methyl 2-[2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-4-(2,4-difluorophenyl)-7-methylpyrido[2,3-d]pyrimidine-6-carboxylate (PubChem CID 177137133) has the molecular formula C27H26F2N6O3 and a molecular weight of 520.54 g/mol. Its IUPAC name is methyl 2-[2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-4-(2,4-difluorophenyl)-7-methylpyrido[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-4-(2,4-difluorophenyl)-7-methylpyrido[2,3-d]pyrimidine-6-carboxylate
PubChem CID177137133
Molecular FormulaC27H26F2N6O3
Molecular Weight520.54 g/mol
Exact Mass520.20
IUPAC Namemethyl 2-[2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-4-(2,4-difluorophenyl)-7-methylpyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1cc2c(-c3ccc(F)cc3F)nc(N3CC(C)OC(c4cnn(C5CC5)c4)C3)nc2nc1C
InChIInChI=1S/C27H26F2N6O3/c1-14-11-34(13-23(38-14)16-10-30-35(12-16)18-5-6-18)27-32-24(19-7-4-17(28)8-22(19)29)21-9-20(26(36)37-3)15(2)31-25(21)33-27/h4,7-10,12,14,18,23H,5-6,11,13H2,1-3H3
InChIKeyLRTDUUXTAXRRJR-UHFFFAOYSA-N
XLogP4.56
TPSA95.26 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.54
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze methyl 2-[2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-4-(2,4-difluorophenyl)-7-methylpyrido[2,3-d]pyrimidine-6-carboxylate with MolForge

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Related Compounds

2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-6-(4,5-dihydro-1,3-oxazol-2-yl)-7-methylpyrido[2,3-d]pyrimidin-2-yl]-6-methylmorpholine
CID 177137237
(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-6,7-bis(trideuteriomethyl)pteridin-2-yl]-6-methylmorpholine
CID 166121864
(2S,6S)-2-(1-cyclopropylpyrazol-4-yl)-4-[6-(2,4-difluorophenyl)-7-methylpurin-2-yl]-6-methylmorpholine
CID 168887841
(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
(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[7-(2,4-difluorophenyl)-2-[(3R)-3-methoxypyrrolidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]-6-methylmorpholine
CID 168887995
(2R,6S)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-methyl-6-(1-methylpyrazol-4-yl)morpholine
CID 166121706
2-(1-cyclopropylpyrazol-4-yl)-4-(6,7-dimethyl-4-phenylpyrido[2,3-d]pyrimidin-2-yl)-6-methylmorpholine
CID 177137303
2-(1-cyclopropylpyrazol-4-yl)-4-[5-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-b]pyrazin-7-yl]-6-methylmorpholine
CID 157045015
(2S,6S)-4-[4-(4-chloro-2-fluorophenyl)-7-methylpteridin-2-yl]-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine
CID 157044817

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-4-(2,4-difluorophenyl)-7-methylpyrido[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of 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) is methyl 2-[2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-4-(2,4-difluorophenyl)-7-methylpyrido[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 2-[2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-4-(2,4-difluorophenyl)-7-methylpyrido[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 2-[2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-4-(2,4-difluorophenyl)-7-methylpyrido[2,3-d]pyrimidine-6-carboxylate is COC(=O)c1cc2c(-c3ccc(F)cc3F)nc(N3CC(C)OC(c4cnn(C5CC5)c4)C3)nc2nc1C.
What is the InChIKey of methyl 2-[2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-4-(2,4-difluorophenyl)-7-methylpyrido[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is LRTDUUXTAXRRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F2N6O3/c1-14-11-34(13-23(38-14)16-10-30-35(12-16)18-5-6-18)27-32-24(19-7-4-17(28)8-22(19)29)21-9-20(26(36)37-3)15(2)31-25(21)33-27/h4,7-10,12,14,18,23H,5-6,11,13H2,1-3H3.
What are the key properties of methyl 2-[2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-4-(2,4-difluorophenyl)-7-methylpyrido[2,3-d]pyrimidine-6-carboxylate?
methyl 2-[2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-4-(2,4-difluorophenyl)-7-methylpyrido[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 520.54 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-4-(2,4-difluorophenyl)-7-methylpyrido[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 177137133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).