2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-7-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrido[2,3-d]pyrimidin-2-yl]-6-methylmorpholine

C29H27F2N7O2 — CID 177137157

IUPAC2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-7-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrido[2,3-d]pyrimidin-2-yl]-6-methylmorpholine
SMILESCc1cc(-c2cc3c(-c4ccc(F)cc4F)nc(N4CC(C)OC(c5cnn(C6CC6)c5)C4)nc3nc2C)on1
InChIInChI=1S/C29H27F2N7O2/c1-15-8-25(40-36-15)22-10-23-27(21-7-4-19(30)9-24(21)31)34-29(35-28(23)33-17(22)3)37-12-16(2)39-26(14-37)18-11-32-38(13-18)20-5-6-20/h4,7-11,13,16,20,26H,5-6,12,14H2,1-3H3
InChIKeyKNKMBWNSIQPLNI-UHFFFAOYSA-N
MW543.58 g/mol
LogP5.74
Rot. Bonds5

About 2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-7-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrido[2,3-d]pyrimidin-2-yl]-6-methylmorpholine

2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-7-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrido[2,3-d]pyrimidin-2-yl]-6-methylmorpholine (PubChem CID 177137157) has the molecular formula C29H27F2N7O2 and a molecular weight of 543.58 g/mol. Its IUPAC name is 2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-7-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrido[2,3-d]pyrimidin-2-yl]-6-methylmorpholine.

Molecular Properties

Compound Name2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-7-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrido[2,3-d]pyrimidin-2-yl]-6-methylmorpholine
PubChem CID177137157
Molecular FormulaC29H27F2N7O2
Molecular Weight543.58 g/mol
Exact Mass543.22
IUPAC Name2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-7-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrido[2,3-d]pyrimidin-2-yl]-6-methylmorpholine
SMILESCc1cc(-c2cc3c(-c4ccc(F)cc4F)nc(N4CC(C)OC(c5cnn(C6CC6)c5)C4)nc3nc2C)on1
InChIInChI=1S/C29H27F2N7O2/c1-15-8-25(40-36-15)22-10-23-27(21-7-4-19(30)9-24(21)31)34-29(35-28(23)33-17(22)3)37-12-16(2)39-26(14-37)18-11-32-38(13-18)20-5-6-20/h4,7-11,13,16,20,26H,5-6,12,14H2,1-3H3
InChIKeyKNKMBWNSIQPLNI-UHFFFAOYSA-N
XLogP5.74
TPSA94.99 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.58
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-7-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrido[2,3-d]pyrimidin-2-yl]-6-methylmorpholine with MolForge

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Related Compounds

1-(4-{6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl}-1H-pyrazol-1-yl)-2-methylpropan-2-ol
CID 129166067
2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]ethanol
CID 129166071
1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3R)-3-phenylmorpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol
CID 129166105
2-[4-[6-(3,5-Dimethyl-1,2-oxazol-4-yl)-4-(3-phenylmorpholin-4-yl)quinazolin-2-yl]pyrazol-1-yl]ethanol
CID 129182231
1-[4-[4-[(3S)-3-cyclopropylmorpholin-4-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol
CID 162654052
1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-(4-fluorophenyl)morpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol
CID 162659992
1-[4-[4-[(3S)-3-cyclohexylmorpholin-4-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol
CID 162665883
3-[3-[5-Fluoro-4-(3-methoxypiperidin-1-yl)pyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole
CID 86267931
5-Fluoro-3-[1-[6-(2-methoxypyrimidin-5-yl)pyridazin-3-yl]piperidin-4-yl]-1,2-benzoxazole
CID 89628109
US10772893, Example 135
CID 118869177
US10772893, Example 112
CID 118869179
2-[(3R)-3-methylmorpholin-4-yl]-4-(3-methyl-1,2-oxazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridine
CID 118869334

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-7-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrido[2,3-d]pyrimidin-2-yl]-6-methylmorpholine?
The IUPAC name of 2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-7-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrido[2,3-d]pyrimidin-2-yl]-6-methylmorpholine (CID 177137157) is 2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-7-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrido[2,3-d]pyrimidin-2-yl]-6-methylmorpholine.
What is the SMILES notation for 2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-7-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrido[2,3-d]pyrimidin-2-yl]-6-methylmorpholine?
The canonical SMILES for 2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-7-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrido[2,3-d]pyrimidin-2-yl]-6-methylmorpholine is Cc1cc(-c2cc3c(-c4ccc(F)cc4F)nc(N4CC(C)OC(c5cnn(C6CC6)c5)C4)nc3nc2C)on1.
What is the InChIKey of 2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-7-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrido[2,3-d]pyrimidin-2-yl]-6-methylmorpholine?
The InChIKey is KNKMBWNSIQPLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27F2N7O2/c1-15-8-25(40-36-15)22-10-23-27(21-7-4-19(30)9-24(21)31)34-29(35-28(23)33-17(22)3)37-12-16(2)39-26(14-37)18-11-32-38(13-18)20-5-6-20/h4,7-11,13,16,20,26H,5-6,12,14H2,1-3H3.
What are the key properties of 2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-7-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrido[2,3-d]pyrimidin-2-yl]-6-methylmorpholine?
2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-7-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrido[2,3-d]pyrimidin-2-yl]-6-methylmorpholine has a molecular weight of 543.58 g/mol, XLogP of 5.74, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-7-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrido[2,3-d]pyrimidin-2-yl]-6-methylmorpholine is sourced from PubChem (CID 177137157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).