1-[3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]-3-[(3S,4R)-4-(3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea

C30H34FN7O3 — CID 146550259

IUPAC1-[3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]-3-[(3S,4R)-4-(3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea
SMILESCOCCN1C[C@@H](NC(=O)Nc2c(C)c(-c3cnn4c3OCCC4)nn2-c2ccccc2)[C@H](c2cccc(F)c2)C1
InChIInChI=1S/C30H34FN7O3/c1-20-27(24-17-32-37-12-7-14-41-29(24)37)35-38(23-10-4-3-5-11-23)28(20)34-30(39)33-26-19-36(13-15-40-2)18-25(26)21-8-6-9-22(31)16-21/h3-6,8-11,16-17,25-26H,7,12-15,18-19H2,1-2H3,(H2,33,34,39)/t25-,26+/m0/s1
InChIKeyRWXVVFXKRYXRFD-IZZNHLLZSA-N
MW559.65 g/mol
LogP4.20
Rot. Bonds8

About 1-[3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]-3-[(3S,4R)-4-(3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea

1-[3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]-3-[(3S,4R)-4-(3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea (PubChem CID 146550259) has the molecular formula C30H34FN7O3 and a molecular weight of 559.65 g/mol. Its IUPAC name is 1-[3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]-3-[(3S,4R)-4-(3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-[3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]-3-[(3S,4R)-4-(3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea
PubChem CID146550259
Molecular FormulaC30H34FN7O3
Molecular Weight559.65 g/mol
Exact Mass559.27
IUPAC Name1-[3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]-3-[(3S,4R)-4-(3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea
SMILESCOCCN1C[C@@H](NC(=O)Nc2c(C)c(-c3cnn4c3OCCC4)nn2-c2ccccc2)[C@H](c2cccc(F)c2)C1
InChIInChI=1S/C30H34FN7O3/c1-20-27(24-17-32-37-12-7-14-41-29(24)37)35-38(23-10-4-3-5-11-23)28(20)34-30(39)33-26-19-36(13-15-40-2)18-25(26)21-8-6-9-22(31)16-21/h3-6,8-11,16-17,25-26H,7,12-15,18-19H2,1-2H3,(H2,33,34,39)/t25-,26+/m0/s1
InChIKeyRWXVVFXKRYXRFD-IZZNHLLZSA-N
XLogP4.20
TPSA98.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.65
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]-3-[(3S,4R)-4-(3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea with MolForge

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Related Compounds

1-[4-(3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[4-methyl-3-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-3-yl)-1-phenylpyrazol-5-yl]urea
CID 146550168
1-[(3S)-4-(3,5-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[3-(2-methoxypyrimidin-5-yl)-4-methyl-1-phenylpyrazol-5-yl]urea
CID 148775096
1-[(3S,4R)-4-(3,5-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-(4,5-dimethyl-2-phenylpyrazol-3-yl)urea
CID 118128502
1-[(3S,4R)-4-(3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)urea
CID 71015519
1-[3-[2-(dimethylamino)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(3S,4R)-4-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea
CID 71015382
1-[(3S,4R)-4-(5,6-difluoro-3-pyridinyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]urea
CID 137495177
1-(4,5-dimethyl-2-phenylpyrazol-3-yl)-3-[(3S,4R)-4-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea
CID 71041078
5-[5-[[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,3-dimethylpyridine-2-carboxamide
CID 137495236
N-ethyl-2-(2-methoxyethoxy)-5-[5-[[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]pyridine-3-carboxamide
CID 137495123
1-(4,5-dimethyl-2-phenylpyrazol-3-yl)-3-[1-(2-methoxyethyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]urea
CID 123158042
1-[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]-3-[4-methyl-3-(1,5-naphthyridin-3-yl)-1-phenylpyrazol-5-yl]urea
CID 137495225
1-[(3S,4R)-4-(2,6-dichloro-4-pyridinyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea
CID 137495184

Frequently Asked Questions

What is the IUPAC name of 1-[3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]-3-[(3S,4R)-4-(3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea?
The IUPAC name of 1-[3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]-3-[(3S,4R)-4-(3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea (CID 146550259) is 1-[3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]-3-[(3S,4R)-4-(3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea.
What is the SMILES notation for 1-[3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]-3-[(3S,4R)-4-(3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea?
The canonical SMILES for 1-[3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]-3-[(3S,4R)-4-(3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea is COCCN1C[C@@H](NC(=O)Nc2c(C)c(-c3cnn4c3OCCC4)nn2-c2ccccc2)[C@H](c2cccc(F)c2)C1.
What is the InChIKey of 1-[3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]-3-[(3S,4R)-4-(3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea?
The InChIKey is RWXVVFXKRYXRFD-IZZNHLLZSA-N. The full InChI is InChI=1S/C30H34FN7O3/c1-20-27(24-17-32-37-12-7-14-41-29(24)37)35-38(23-10-4-3-5-11-23)28(20)34-30(39)33-26-19-36(13-15-40-2)18-25(26)21-8-6-9-22(31)16-21/h3-6,8-11,16-17,25-26H,7,12-15,18-19H2,1-2H3,(H2,33,34,39)/t25-,26+/m0/s1.
What are the key properties of 1-[3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]-3-[(3S,4R)-4-(3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea?
1-[3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]-3-[(3S,4R)-4-(3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea has a molecular weight of 559.65 g/mol, XLogP of 4.20, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]-3-[(3S,4R)-4-(3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea is sourced from PubChem (CID 146550259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).