2-chloro-N-(3,6,6-trimethyl-1-pyridin-2-yl-5,7-dihydro-4H-indazol-4-yl)acetamide

C17H21ClN4O — CID 155979881

IUPAC2-chloro-N-(3,6,6-trimethyl-1-pyridin-2-yl-5,7-dihydro-4H-indazol-4-yl)acetamide
SMILESCc1nn(-c2ccccn2)c2c1C(NC(=O)CCl)CC(C)(C)C2
InChIInChI=1S/C17H21ClN4O/c1-11-16-12(20-15(23)10-18)8-17(2,3)9-13(16)22(21-11)14-6-4-5-7-19-14/h4-7,12H,8-10H2,1-3H3,(H,20,23)
InChIKeyFEFMFARZSQSNBJ-UHFFFAOYSA-N
MW332.84 g/mol
LogP2.94
Rot. Bonds3

About 2-chloro-N-(3,6,6-trimethyl-1-pyridin-2-yl-5,7-dihydro-4H-indazol-4-yl)acetamide

2-chloro-N-(3,6,6-trimethyl-1-pyridin-2-yl-5,7-dihydro-4H-indazol-4-yl)acetamide (PubChem CID 155979881) has the molecular formula C17H21ClN4O and a molecular weight of 332.84 g/mol. Its IUPAC name is 2-chloro-N-(3,6,6-trimethyl-1-pyridin-2-yl-5,7-dihydro-4H-indazol-4-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(3,6,6-trimethyl-1-pyridin-2-yl-5,7-dihydro-4H-indazol-4-yl)acetamide
PubChem CID155979881
Molecular FormulaC17H21ClN4O
Molecular Weight332.84 g/mol
Exact Mass332.14
IUPAC Name2-chloro-N-(3,6,6-trimethyl-1-pyridin-2-yl-5,7-dihydro-4H-indazol-4-yl)acetamide
SMILESCc1nn(-c2ccccn2)c2c1C(NC(=O)CCl)CC(C)(C)C2
InChIInChI=1S/C17H21ClN4O/c1-11-16-12(20-15(23)10-18)8-17(2,3)9-13(16)22(21-11)14-6-4-5-7-19-14/h4-7,12H,8-10H2,1-3H3,(H,20,23)
InChIKeyFEFMFARZSQSNBJ-UHFFFAOYSA-N
XLogP2.94
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-(3,6,6-trimethyl-1-pyridin-2-yl-5,7-dihydro-4H-indazol-4-yl)benzamide
CID 155979875
2-chloro-N-(3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)prop-2-enamide
CID 102454423
4-fluoro-N-(3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)benzamide
CID 4729379
1-thiophen-2-yl-N-(3,6,6-trimethyl-1-pyridin-2-yl-5,7-dihydro-4H-indazol-4-yl)methanimine
CID 155979870
3,5-dinitro-N-(3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)benzamide
CID 4729384
N-[(4S)-3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]methanesulfonamide
CID 939265
2-oxo-N-(3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)chromene-3-carboxamide
CID 3800061
N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-2-pyrimidin-2-ylsulfanylacetamide
CID 42148100
N-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)cyclopent-2-en-1-yl]acetamide
CID 74734861
5-propan-2-yl-1-pyridin-2-yl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pyrazole-4-carboxamide
CID 55782818
N-[2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-3-phenylpropanamide
CID 91629292
N-[(4R)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 25370066

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,6,6-trimethyl-1-pyridin-2-yl-5,7-dihydro-4H-indazol-4-yl)acetamide?
The IUPAC name of 2-chloro-N-(3,6,6-trimethyl-1-pyridin-2-yl-5,7-dihydro-4H-indazol-4-yl)acetamide (CID 155979881) is 2-chloro-N-(3,6,6-trimethyl-1-pyridin-2-yl-5,7-dihydro-4H-indazol-4-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(3,6,6-trimethyl-1-pyridin-2-yl-5,7-dihydro-4H-indazol-4-yl)acetamide?
The canonical SMILES for 2-chloro-N-(3,6,6-trimethyl-1-pyridin-2-yl-5,7-dihydro-4H-indazol-4-yl)acetamide is Cc1nn(-c2ccccn2)c2c1C(NC(=O)CCl)CC(C)(C)C2.
What is the InChIKey of 2-chloro-N-(3,6,6-trimethyl-1-pyridin-2-yl-5,7-dihydro-4H-indazol-4-yl)acetamide?
The InChIKey is FEFMFARZSQSNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-11-16-12(20-15(23)10-18)8-17(2,3)9-13(16)22(21-11)14-6-4-5-7-19-14/h4-7,12H,8-10H2,1-3H3,(H,20,23).
What are the key properties of 2-chloro-N-(3,6,6-trimethyl-1-pyridin-2-yl-5,7-dihydro-4H-indazol-4-yl)acetamide?
2-chloro-N-(3,6,6-trimethyl-1-pyridin-2-yl-5,7-dihydro-4H-indazol-4-yl)acetamide has a molecular weight of 332.84 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,6,6-trimethyl-1-pyridin-2-yl-5,7-dihydro-4H-indazol-4-yl)acetamide is sourced from PubChem (CID 155979881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).