1-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-3-pyridin-2-ylurea

C19H26N6O3 — CID 138015976

IUPAC1-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-3-pyridin-2-ylurea
SMILESCOCCN1C(=O)C[C@H](CNC(=O)Nc2ccccn2)[C@H]1c1cnn(C)c1C
InChIInChI=1S/C19H26N6O3/c1-13-15(12-22-24(13)2)18-14(10-17(26)25(18)8-9-28-3)11-21-19(27)23-16-6-4-5-7-20-16/h4-7,12,14,18H,8-11H2,1-3H3,(H2,20,21,23,27)/t14-,18+/m1/s1
InChIKeyYQYNBTFPGKKNDX-KDOFPFPSSA-N
MW386.46 g/mol
LogP1.48
Rot. Bonds7

About 1-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-3-pyridin-2-ylurea

1-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-3-pyridin-2-ylurea (PubChem CID 138015976) has the molecular formula C19H26N6O3 and a molecular weight of 386.46 g/mol. Its IUPAC name is 1-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-3-pyridin-2-ylurea.

Molecular Properties

Compound Name1-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-3-pyridin-2-ylurea
PubChem CID138015976
Molecular FormulaC19H26N6O3
Molecular Weight386.46 g/mol
Exact Mass386.21
IUPAC Name1-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-3-pyridin-2-ylurea
SMILESCOCCN1C(=O)C[C@H](CNC(=O)Nc2ccccn2)[C@H]1c1cnn(C)c1C
InChIInChI=1S/C19H26N6O3/c1-13-15(12-22-24(13)2)18-14(10-17(26)25(18)8-9-28-3)11-21-19(27)23-16-6-4-5-7-20-16/h4-7,12,14,18H,8-11H2,1-3H3,(H2,20,21,23,27)/t14-,18+/m1/s1
InChIKeyYQYNBTFPGKKNDX-KDOFPFPSSA-N
XLogP1.48
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(aminomethyl)-5-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)pyrrolidin-2-one
CID 122360290
(4S,5R)-4-[(1-benzofuran-2-ylmethylamino)methyl]-5-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)pyrrolidin-2-one
CID 129005014
N-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-2,3,4,5,6-pentafluorobenzenesulfonamide
CID 167969641
2-methoxy-N-[[(2R,3S)-1-(2-methoxyethyl)-5-oxo-2-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 167756958
1-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-3-[(1S,2S)-2-phenylcyclobutyl]urea
CID 164639750
(4S,5R)-5-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-[(pyrimidin-2-ylamino)methyl]pyrrolidin-2-one
CID 154803434
(4S,5R)-1-(2-methoxyethyl)-5-(1-methylpyrazol-4-yl)-4-[[(3-methyl-2-pyridinyl)methylamino]methyl]pyrrolidin-2-one
CID 128967265
N-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 138015949
(2R,3R)-1-(2-methoxyethyl)-2-(3-methylphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 110087618
(4S,5R)-5-(1,5-dimethylpyrazol-4-yl)-4-[[1-(2-methoxyphenyl)propan-2-ylamino]methyl]-1-methylpyrrolidin-2-one
CID 128998594
N-[[(2R,3S)-1-(2-methoxyethyl)-5-oxo-2-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methyl]-4,5-dimethylthiophene-2-carboxamide
CID 167945757
1-(2,2-difluoroethyl)-N-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-3-methylpyrazole-4-carboxamide
CID 164640012

Frequently Asked Questions

What is the IUPAC name of 1-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-3-pyridin-2-ylurea?
The IUPAC name of 1-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-3-pyridin-2-ylurea (CID 138015976) is 1-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-3-pyridin-2-ylurea.
What is the SMILES notation for 1-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-3-pyridin-2-ylurea?
The canonical SMILES for 1-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-3-pyridin-2-ylurea is COCCN1C(=O)C[C@H](CNC(=O)Nc2ccccn2)[C@H]1c1cnn(C)c1C.
What is the InChIKey of 1-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-3-pyridin-2-ylurea?
The InChIKey is YQYNBTFPGKKNDX-KDOFPFPSSA-N. The full InChI is InChI=1S/C19H26N6O3/c1-13-15(12-22-24(13)2)18-14(10-17(26)25(18)8-9-28-3)11-21-19(27)23-16-6-4-5-7-20-16/h4-7,12,14,18H,8-11H2,1-3H3,(H2,20,21,23,27)/t14-,18+/m1/s1.
What are the key properties of 1-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-3-pyridin-2-ylurea?
1-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-3-pyridin-2-ylurea has a molecular weight of 386.46 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-3-pyridin-2-ylurea is sourced from PubChem (CID 138015976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).