[1-(3-chloro-2-pyridinyl)-5-[[2-methyl-6-(propan-2-ylcarbamoyl)phenyl]carbamoyl]pyrazol-3-yl]methyl acetate

C23H24ClN5O4 — CID 50905205

IUPAC[1-(3-chloro-2-pyridinyl)-5-[[2-methyl-6-(propan-2-ylcarbamoyl)phenyl]carbamoyl]pyrazol-3-yl]methyl acetate
SMILESCC(=O)OCc1cc(C(=O)Nc2c(C)cccc2C(=O)NC(C)C)n(-c2ncccc2Cl)n1
InChIInChI=1S/C23H24ClN5O4/c1-13(2)26-22(31)17-8-5-7-14(3)20(17)27-23(32)19-11-16(12-33-15(4)30)28-29(19)21-18(24)9-6-10-25-21/h5-11,13H,12H2,1-4H3,(H,26,31)(H,27,32)
InChIKeyRMMWQEPDUQSLSZ-UHFFFAOYSA-N
MW469.93 g/mol
LogP3.68
Rot. Bonds7

About [1-(3-chloro-2-pyridinyl)-5-[[2-methyl-6-(propan-2-ylcarbamoyl)phenyl]carbamoyl]pyrazol-3-yl]methyl acetate

[1-(3-chloro-2-pyridinyl)-5-[[2-methyl-6-(propan-2-ylcarbamoyl)phenyl]carbamoyl]pyrazol-3-yl]methyl acetate (PubChem CID 50905205) has the molecular formula C23H24ClN5O4 and a molecular weight of 469.93 g/mol. Its IUPAC name is [1-(3-chloro-2-pyridinyl)-5-[[2-methyl-6-(propan-2-ylcarbamoyl)phenyl]carbamoyl]pyrazol-3-yl]methyl acetate.

Molecular Properties

Compound Name[1-(3-chloro-2-pyridinyl)-5-[[2-methyl-6-(propan-2-ylcarbamoyl)phenyl]carbamoyl]pyrazol-3-yl]methyl acetate
PubChem CID50905205
Molecular FormulaC23H24ClN5O4
Molecular Weight469.93 g/mol
Exact Mass469.15
IUPAC Name[1-(3-chloro-2-pyridinyl)-5-[[2-methyl-6-(propan-2-ylcarbamoyl)phenyl]carbamoyl]pyrazol-3-yl]methyl acetate
SMILESCC(=O)OCc1cc(C(=O)Nc2c(C)cccc2C(=O)NC(C)C)n(-c2ncccc2Cl)n1
InChIInChI=1S/C23H24ClN5O4/c1-13(2)26-22(31)17-8-5-7-14(3)20(17)27-23(32)19-11-16(12-33-15(4)30)28-29(19)21-18(24)9-6-10-25-21/h5-11,13H,12H2,1-4H3,(H,26,31)(H,27,32)
InChIKeyRMMWQEPDUQSLSZ-UHFFFAOYSA-N
XLogP3.68
TPSA115.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.93
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3-chloro-2-pyridinyl)-N-[2-methyl-6-[[(1-methylethyl)amino]carbonyl]phenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 10298587
3-Desbromo-3-chloro-Chlorantraniliprole
CID 11647840
3-chloro-N-[4-chloro-2-methyl-6-[[(1-methylethyl)amino]-carbonyl]phenyl]-1-(3-chloro-2-pyridinyl)-1H-pyrazole-5-carboxamide
CID 23154316
1-(5-chloro-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide
CID 71087663
N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carboxamide
CID 44443746
N-[4-chloro-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carboxamide
CID 44443747
2-[[5-chloro-2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylamino)-4-pyridinyl]amino]-N-methoxybenzamide
CID 162658788
methyl 4-[4-[(3-chloro-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-1-methylpyrazole-5-carboxylate
CID 86279236
1-(3-chloro-2-pyridinyl)-N-[2-methyl-6-(propan-2-ylcarbamoyl)-4-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 44443745
ethyl 4-(4-{(3-chloropyridin-2-yl)[(3R)-piperidin-3-yl]carbamoyl}phenyl)-1-methyl-1H-pyrazole-5-carboxylate
CID 86279105
1-ethoxycarbonyloxyethyl 4-[4-[(3-chloro-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-1-methylpyrazole-5-carboxylate
CID 86279171
[(1S)-1-ethoxycarbonyloxyethyl] 4-[4-[(3-chloro-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-1-methylpyrazole-5-carboxylate
CID 86279172

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-2-pyridinyl)-5-[[2-methyl-6-(propan-2-ylcarbamoyl)phenyl]carbamoyl]pyrazol-3-yl]methyl acetate?
The IUPAC name of [1-(3-chloro-2-pyridinyl)-5-[[2-methyl-6-(propan-2-ylcarbamoyl)phenyl]carbamoyl]pyrazol-3-yl]methyl acetate (CID 50905205) is [1-(3-chloro-2-pyridinyl)-5-[[2-methyl-6-(propan-2-ylcarbamoyl)phenyl]carbamoyl]pyrazol-3-yl]methyl acetate.
What is the SMILES notation for [1-(3-chloro-2-pyridinyl)-5-[[2-methyl-6-(propan-2-ylcarbamoyl)phenyl]carbamoyl]pyrazol-3-yl]methyl acetate?
The canonical SMILES for [1-(3-chloro-2-pyridinyl)-5-[[2-methyl-6-(propan-2-ylcarbamoyl)phenyl]carbamoyl]pyrazol-3-yl]methyl acetate is CC(=O)OCc1cc(C(=O)Nc2c(C)cccc2C(=O)NC(C)C)n(-c2ncccc2Cl)n1.
What is the InChIKey of [1-(3-chloro-2-pyridinyl)-5-[[2-methyl-6-(propan-2-ylcarbamoyl)phenyl]carbamoyl]pyrazol-3-yl]methyl acetate?
The InChIKey is RMMWQEPDUQSLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O4/c1-13(2)26-22(31)17-8-5-7-14(3)20(17)27-23(32)19-11-16(12-33-15(4)30)28-29(19)21-18(24)9-6-10-25-21/h5-11,13H,12H2,1-4H3,(H,26,31)(H,27,32).
What are the key properties of [1-(3-chloro-2-pyridinyl)-5-[[2-methyl-6-(propan-2-ylcarbamoyl)phenyl]carbamoyl]pyrazol-3-yl]methyl acetate?
[1-(3-chloro-2-pyridinyl)-5-[[2-methyl-6-(propan-2-ylcarbamoyl)phenyl]carbamoyl]pyrazol-3-yl]methyl acetate has a molecular weight of 469.93 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-2-pyridinyl)-5-[[2-methyl-6-(propan-2-ylcarbamoyl)phenyl]carbamoyl]pyrazol-3-yl]methyl acetate is sourced from PubChem (CID 50905205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).