1-[2-(2-oxo-1-pyridinyl)-1-phenylethyl]-3-(1-phenyl-3-propan-2-ylpyrazol-5-yl)urea

C26H27N5O2 — CID 146132758

IUPAC1-[2-(2-oxo-1-pyridinyl)-1-phenylethyl]-3-(1-phenyl-3-propan-2-ylpyrazol-5-yl)urea
SMILESCC(C)c1cc(NC(=O)NC(Cn2ccccc2=O)c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C26H27N5O2/c1-19(2)22-17-24(31(29-22)21-13-7-4-8-14-21)28-26(33)27-23(20-11-5-3-6-12-20)18-30-16-10-9-15-25(30)32/h3-17,19,23H,18H2,1-2H3,(H2,27,28,33)
InChIKeyLMFBCYQLPSKZKC-UHFFFAOYSA-N
MW441.54 g/mol
LogP4.72
Rot. Bonds7

About 1-[2-(2-oxo-1-pyridinyl)-1-phenylethyl]-3-(1-phenyl-3-propan-2-ylpyrazol-5-yl)urea

1-[2-(2-oxo-1-pyridinyl)-1-phenylethyl]-3-(1-phenyl-3-propan-2-ylpyrazol-5-yl)urea (PubChem CID 146132758) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is 1-[2-(2-oxo-1-pyridinyl)-1-phenylethyl]-3-(1-phenyl-3-propan-2-ylpyrazol-5-yl)urea.

Molecular Properties

Compound Name1-[2-(2-oxo-1-pyridinyl)-1-phenylethyl]-3-(1-phenyl-3-propan-2-ylpyrazol-5-yl)urea
PubChem CID146132758
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC Name1-[2-(2-oxo-1-pyridinyl)-1-phenylethyl]-3-(1-phenyl-3-propan-2-ylpyrazol-5-yl)urea
SMILESCC(C)c1cc(NC(=O)NC(Cn2ccccc2=O)c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C26H27N5O2/c1-19(2)22-17-24(31(29-22)21-13-7-4-8-14-21)28-26(33)27-23(20-11-5-3-6-12-20)18-30-16-10-9-15-25(30)32/h3-17,19,23H,18H2,1-2H3,(H2,27,28,33)
InChIKeyLMFBCYQLPSKZKC-UHFFFAOYSA-N
XLogP4.72
TPSA80.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-(2-oxo-1-pyridinyl)-1-phenylethyl]-3-(1-phenyl-3-propan-2-ylpyrazol-5-yl)urea with MolForge

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Related Compounds

1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-(1-phenyl-3-propan-2-ylpyrazol-5-yl)urea
CID 72870620
3-[methyl-[(1-phenyl-3-propan-2-ylpyrazol-5-yl)carbamoyl]amino]propanoic acid
CID 122093816
4-[[2-(2-oxo-1-pyridinyl)-1-phenylethyl]carbamoylamino]butanoic acid
CID 122013493
N-[(1R)-2-(2-oxo-1-pyridinyl)-1-phenylethyl]furan-3-carboxamide
CID 100735320
cis-(1R,3S)-2,2-dimethyl-3-[[2-(2-oxo-1-pyridinyl)-1-phenylethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 122066942
3-methyl-N-[(1S)-2-(2-oxo-1-pyridinyl)-1-phenylethyl]furan-2-carboxamide
CID 124847738
N-[(1S)-2-(2-oxo-1-pyridinyl)-1-phenylethyl]-1,3-thiazole-4-carboxamide
CID 124875352
1-[2-[[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]amino]-2-phenylethyl]pyridin-2-one
CID 166180141
1-[(3R,4S)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]-3-(1-phenyl-3-propan-2-ylpyrazol-5-yl)urea
CID 118128880
2-methyl-3-(2-oxo-1-pyridinyl)propanoic acid
CID 60773689
2-(benzimidazol-1-yl)-N-(1-phenyl-3-propan-2-ylpyrazol-5-yl)acetamide;2,2,2-trifluoroacetic acid
CID 154887192
N-(1,3-diphenylpyrazol-5-yl)-4-methylpentanamide
CID 46087809

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-oxo-1-pyridinyl)-1-phenylethyl]-3-(1-phenyl-3-propan-2-ylpyrazol-5-yl)urea?
The IUPAC name of 1-[2-(2-oxo-1-pyridinyl)-1-phenylethyl]-3-(1-phenyl-3-propan-2-ylpyrazol-5-yl)urea (CID 146132758) is 1-[2-(2-oxo-1-pyridinyl)-1-phenylethyl]-3-(1-phenyl-3-propan-2-ylpyrazol-5-yl)urea.
What is the SMILES notation for 1-[2-(2-oxo-1-pyridinyl)-1-phenylethyl]-3-(1-phenyl-3-propan-2-ylpyrazol-5-yl)urea?
The canonical SMILES for 1-[2-(2-oxo-1-pyridinyl)-1-phenylethyl]-3-(1-phenyl-3-propan-2-ylpyrazol-5-yl)urea is CC(C)c1cc(NC(=O)NC(Cn2ccccc2=O)c2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of 1-[2-(2-oxo-1-pyridinyl)-1-phenylethyl]-3-(1-phenyl-3-propan-2-ylpyrazol-5-yl)urea?
The InChIKey is LMFBCYQLPSKZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-19(2)22-17-24(31(29-22)21-13-7-4-8-14-21)28-26(33)27-23(20-11-5-3-6-12-20)18-30-16-10-9-15-25(30)32/h3-17,19,23H,18H2,1-2H3,(H2,27,28,33).
What are the key properties of 1-[2-(2-oxo-1-pyridinyl)-1-phenylethyl]-3-(1-phenyl-3-propan-2-ylpyrazol-5-yl)urea?
1-[2-(2-oxo-1-pyridinyl)-1-phenylethyl]-3-(1-phenyl-3-propan-2-ylpyrazol-5-yl)urea has a molecular weight of 441.54 g/mol, XLogP of 4.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-oxo-1-pyridinyl)-1-phenylethyl]-3-(1-phenyl-3-propan-2-ylpyrazol-5-yl)urea is sourced from PubChem (CID 146132758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).