N-(2-amino-2-oxoethyl)-2-[(1R,3S)-3-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]-2,2-dimethylcyclobutyl]acetamide

C24H25Cl2N5O2 — CID 59727997

IUPACN-(2-amino-2-oxoethyl)-2-[(1R,3S)-3-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]-2,2-dimethylcyclobutyl]acetamide
SMILESCC1(C)[C@@H](CC(=O)NCC(N)=O)C[C@@H]1c1cc(-c2cccnc2)nn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H25Cl2N5O2/c1-24(2)15(9-23(33)29-13-22(27)32)8-17(24)21-11-20(14-4-3-7-28-12-14)30-31(21)16-5-6-18(25)19(26)10-16/h3-7,10-12,15,17H,8-9,13H2,1-2H3,(H2,27,32)(H,29,33)/t15-,17-/m1/s1
InChIKeyVAVZIYWQVARXEG-NVXWUHKLSA-N
MW486.40 g/mol
LogP4.36
Rot. Bonds7

About N-(2-amino-2-oxoethyl)-2-[(1R,3S)-3-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]-2,2-dimethylcyclobutyl]acetamide

N-(2-amino-2-oxoethyl)-2-[(1R,3S)-3-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]-2,2-dimethylcyclobutyl]acetamide (PubChem CID 59727997) has the molecular formula C24H25Cl2N5O2 and a molecular weight of 486.40 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2-[(1R,3S)-3-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]-2,2-dimethylcyclobutyl]acetamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2-[(1R,3S)-3-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]-2,2-dimethylcyclobutyl]acetamide
PubChem CID59727997
Molecular FormulaC24H25Cl2N5O2
Molecular Weight486.40 g/mol
Exact Mass485.14
IUPAC NameN-(2-amino-2-oxoethyl)-2-[(1R,3S)-3-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]-2,2-dimethylcyclobutyl]acetamide
SMILESCC1(C)[C@@H](CC(=O)NCC(N)=O)C[C@@H]1c1cc(-c2cccnc2)nn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H25Cl2N5O2/c1-24(2)15(9-23(33)29-13-22(27)32)8-17(24)21-11-20(14-4-3-7-28-12-14)30-31(21)16-5-6-18(25)19(26)10-16/h3-7,10-12,15,17H,8-9,13H2,1-2H3,(H2,27,32)(H,29,33)/t15-,17-/m1/s1
InChIKeyVAVZIYWQVARXEG-NVXWUHKLSA-N
XLogP4.36
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.40
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2-[(1R,3S)-3-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]-2,2-dimethylcyclobutyl]acetamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2-[(1R,3S)-3-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]-2,2-dimethylcyclobutyl]acetamide (CID 59727997) is N-(2-amino-2-oxoethyl)-2-[(1R,3S)-3-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]-2,2-dimethylcyclobutyl]acetamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2-[(1R,3S)-3-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]-2,2-dimethylcyclobutyl]acetamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2-[(1R,3S)-3-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]-2,2-dimethylcyclobutyl]acetamide is CC1(C)[C@@H](CC(=O)NCC(N)=O)C[C@@H]1c1cc(-c2cccnc2)nn1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2-[(1R,3S)-3-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]-2,2-dimethylcyclobutyl]acetamide?
The InChIKey is VAVZIYWQVARXEG-NVXWUHKLSA-N. The full InChI is InChI=1S/C24H25Cl2N5O2/c1-24(2)15(9-23(33)29-13-22(27)32)8-17(24)21-11-20(14-4-3-7-28-12-14)30-31(21)16-5-6-18(25)19(26)10-16/h3-7,10-12,15,17H,8-9,13H2,1-2H3,(H2,27,32)(H,29,33)/t15-,17-/m1/s1.
What are the key properties of N-(2-amino-2-oxoethyl)-2-[(1R,3S)-3-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]-2,2-dimethylcyclobutyl]acetamide?
N-(2-amino-2-oxoethyl)-2-[(1R,3S)-3-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]-2,2-dimethylcyclobutyl]acetamide has a molecular weight of 486.40 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-2-[(1R,3S)-3-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]-2,2-dimethylcyclobutyl]acetamide is sourced from PubChem (CID 59727997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).