N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide

C23H21Cl2N5O3 — CID 108756112

IUPACN-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
SMILESCc1cc(NC(=O)C(CC(C)C)N2C(=O)c3ccccc3C2=O)n(-c2ncc(Cl)cc2Cl)n1
InChIInChI=1S/C23H21Cl2N5O3/c1-12(2)8-18(29-22(32)15-6-4-5-7-16(15)23(29)33)21(31)27-19-9-13(3)28-30(19)20-17(25)10-14(24)11-26-20/h4-7,9-12,18H,8H2,1-3H3,(H,27,31)
InChIKeySZUUKCPWGJIKCN-UHFFFAOYSA-N
MW486.36 g/mol
LogP4.53
Rot. Bonds6

About N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide

N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide (PubChem CID 108756112) has the molecular formula C23H21Cl2N5O3 and a molecular weight of 486.36 g/mol. Its IUPAC name is N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide.

Molecular Properties

Compound NameN-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
PubChem CID108756112
Molecular FormulaC23H21Cl2N5O3
Molecular Weight486.36 g/mol
Exact Mass485.10
IUPAC NameN-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
SMILESCc1cc(NC(=O)C(CC(C)C)N2C(=O)c3ccccc3C2=O)n(-c2ncc(Cl)cc2Cl)n1
InChIInChI=1S/C23H21Cl2N5O3/c1-12(2)8-18(29-22(32)15-6-4-5-7-16(15)23(29)33)21(31)27-19-9-13(3)28-30(19)20-17(25)10-14(24)11-26-20/h4-7,9-12,18H,8H2,1-3H3,(H,27,31)
InChIKeySZUUKCPWGJIKCN-UHFFFAOYSA-N
XLogP4.53
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.36
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-6-(1,3-dioxoisoindol-2-yl)hexanamide
CID 108756105
(2R)-N-(2,5-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 8760285
(2S)-N-(3-chloro-4-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 1217246
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 55377190
(2S)-N-(3-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 1112281
N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108732713
1-(4-chlorophenyl)-3-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]urea
CID 108781467
N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]pyridine-3-carboxamide
CID 108756056
N-(2-chlorophenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 2901149
2-(4-chlorophenoxy)-N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-2-methylpropanamide
CID 108756054
N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108756145
N-[6-[[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]amino]-6-oxohexyl]benzamide
CID 108732627

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide?
The IUPAC name of N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide (CID 108756112) is N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide.
What is the SMILES notation for N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide?
The canonical SMILES for N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide is Cc1cc(NC(=O)C(CC(C)C)N2C(=O)c3ccccc3C2=O)n(-c2ncc(Cl)cc2Cl)n1.
What is the InChIKey of N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide?
The InChIKey is SZUUKCPWGJIKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2N5O3/c1-12(2)8-18(29-22(32)15-6-4-5-7-16(15)23(29)33)21(31)27-19-9-13(3)28-30(19)20-17(25)10-14(24)11-26-20/h4-7,9-12,18H,8H2,1-3H3,(H,27,31).
What are the key properties of N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide?
N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide has a molecular weight of 486.36 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide is sourced from PubChem (CID 108756112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).