2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-pyridin-3-ylpropanamide

C23H21ClN4O2 — CID 134805060

IUPAC2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-pyridin-3-ylpropanamide
SMILESCC(C)(Oc1nn(Cc2cccc(Cl)c2)c2ccccc12)C(=O)Nc1cccnc1
InChIInChI=1S/C23H21ClN4O2/c1-23(2,22(29)26-18-9-6-12-25-14-18)30-21-19-10-3-4-11-20(19)28(27-21)15-16-7-5-8-17(24)13-16/h3-14H,15H2,1-2H3,(H,26,29)
InChIKeyRTLMKRYGVVYEHL-UHFFFAOYSA-N
MW420.90 g/mol
LogP4.93
Rot. Bonds6

About 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-pyridin-3-ylpropanamide

2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-pyridin-3-ylpropanamide (PubChem CID 134805060) has the molecular formula C23H21ClN4O2 and a molecular weight of 420.90 g/mol. Its IUPAC name is 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-pyridin-3-ylpropanamide
PubChem CID134805060
Molecular FormulaC23H21ClN4O2
Molecular Weight420.90 g/mol
Exact Mass420.14
IUPAC Name2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-pyridin-3-ylpropanamide
SMILESCC(C)(Oc1nn(Cc2cccc(Cl)c2)c2ccccc12)C(=O)Nc1cccnc1
InChIInChI=1S/C23H21ClN4O2/c1-23(2,22(29)26-18-9-6-12-25-14-18)30-21-19-10-3-4-11-20(19)28(27-21)15-16-7-5-8-17(24)13-16/h3-14H,15H2,1-2H3,(H,26,29)
InChIKeyRTLMKRYGVVYEHL-UHFFFAOYSA-N
XLogP4.93
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.90
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-N-(3-imidazol-1-ylpropyl)-2-methylpropanamide
CID 134808502
US20240018122, Example 39
CID 168072267
2-[1-[(3-Chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 134807876
2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-N-[2-(dimethylamino)ethyl]-2-methylpropanamide
CID 134808475
MAT-POS-173a45da-2
CID 156907033
CHO-MSK-6e55470f-24
CID 156907064
2-methyl-2-[1-(2-phenoxyethyl)indazol-3-yl]oxy-N-(pyrazin-2-ylmethyl)propanamide
CID 134806442
2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-N-(3-methoxypropyl)-2-methylpropanamide
CID 134810138
2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(2-morpholin-4-ylethyl)propanamide
CID 134805061
2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-N-(2-methoxyethyl)-2-methylpropanamide
CID 134806786
2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)propanamide
CID 134807064
2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(oxan-4-yl)propanamide
CID 134807336

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-pyridin-3-ylpropanamide?
The IUPAC name of 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-pyridin-3-ylpropanamide (CID 134805060) is 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-pyridin-3-ylpropanamide.
What is the SMILES notation for 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-pyridin-3-ylpropanamide?
The canonical SMILES for 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-pyridin-3-ylpropanamide is CC(C)(Oc1nn(Cc2cccc(Cl)c2)c2ccccc12)C(=O)Nc1cccnc1.
What is the InChIKey of 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-pyridin-3-ylpropanamide?
The InChIKey is RTLMKRYGVVYEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O2/c1-23(2,22(29)26-18-9-6-12-25-14-18)30-21-19-10-3-4-11-20(19)28(27-21)15-16-7-5-8-17(24)13-16/h3-14H,15H2,1-2H3,(H,26,29).
What are the key properties of 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-pyridin-3-ylpropanamide?
2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-pyridin-3-ylpropanamide has a molecular weight of 420.90 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-pyridin-3-ylpropanamide is sourced from PubChem (CID 134805060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).