2-[3-chloro-5-(2H-indazol-3-ylmethoxy)phenyl]-N-(4-methyl-3-pyridinyl)acetamide

C22H19ClN4O2 — CID 156907033

IUPAC2-[3-chloro-5-(2H-indazol-3-ylmethoxy)phenyl]-N-(4-methyl-3-pyridinyl)acetamide
SMILESCc1ccncc1NC(=O)Cc1cc(Cl)cc(OCc2[nH]nc3ccccc23)c1
InChIInChI=1S/C22H19ClN4O2/c1-14-6-7-24-12-20(14)25-22(28)10-15-8-16(23)11-17(9-15)29-13-21-18-4-2-3-5-19(18)26-27-21/h2-9,11-12H,10,13H2,1H3,(H,25,28)(H,26,27)
InChIKeyNPHYDTQTNZFMMY-UHFFFAOYSA-N
MW406.87 g/mol
LogP4.68
Rot. Bonds6

About 2-[3-chloro-5-(2H-indazol-3-ylmethoxy)phenyl]-N-(4-methyl-3-pyridinyl)acetamide

2-[3-chloro-5-(2H-indazol-3-ylmethoxy)phenyl]-N-(4-methyl-3-pyridinyl)acetamide (PubChem CID 156907033) has the molecular formula C22H19ClN4O2 and a molecular weight of 406.87 g/mol. Its IUPAC name is 2-[3-chloro-5-(2H-indazol-3-ylmethoxy)phenyl]-N-(4-methyl-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[3-chloro-5-(2H-indazol-3-ylmethoxy)phenyl]-N-(4-methyl-3-pyridinyl)acetamide
PubChem CID156907033
Molecular FormulaC22H19ClN4O2
Molecular Weight406.87 g/mol
Exact Mass406.12
IUPAC Name2-[3-chloro-5-(2H-indazol-3-ylmethoxy)phenyl]-N-(4-methyl-3-pyridinyl)acetamide
SMILESCc1ccncc1NC(=O)Cc1cc(Cl)cc(OCc2[nH]nc3ccccc23)c1
InChIInChI=1S/C22H19ClN4O2/c1-14-6-7-24-12-20(14)25-22(28)10-15-8-16(23)11-17(9-15)29-13-21-18-4-2-3-5-19(18)26-27-21/h2-9,11-12H,10,13H2,1H3,(H,25,28)(H,26,27)
InChIKeyNPHYDTQTNZFMMY-UHFFFAOYSA-N
XLogP4.68
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-1,3-benzoxazole
CID 126481269
5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-(1H-indol-2-yl)-1H-indazole
CID 137133122
US11352330, Example D46
CID 126650183
US11352330, Example D28
CID 126651210
US11352330, Example D44
CID 126651246
US11352330, Example D24
CID 126650853
US11352330, Example D47
CID 126651013
CHO-MSK-6e55470f-7
CID 156907062
CHO-MSK-6e55470f-24
CID 156907064
3-(5-chloro-2-ethoxyphenyl)-N-(6-methoxy-3-pyridinyl)-1H-pyrazole-5-carboxamide
CID 49795461
N-[2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]prop-2-enamide
CID 177371335
N-[3-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]prop-2-enamide
CID 177371336

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-(2H-indazol-3-ylmethoxy)phenyl]-N-(4-methyl-3-pyridinyl)acetamide?
The IUPAC name of 2-[3-chloro-5-(2H-indazol-3-ylmethoxy)phenyl]-N-(4-methyl-3-pyridinyl)acetamide (CID 156907033) is 2-[3-chloro-5-(2H-indazol-3-ylmethoxy)phenyl]-N-(4-methyl-3-pyridinyl)acetamide.
What is the SMILES notation for 2-[3-chloro-5-(2H-indazol-3-ylmethoxy)phenyl]-N-(4-methyl-3-pyridinyl)acetamide?
The canonical SMILES for 2-[3-chloro-5-(2H-indazol-3-ylmethoxy)phenyl]-N-(4-methyl-3-pyridinyl)acetamide is Cc1ccncc1NC(=O)Cc1cc(Cl)cc(OCc2[nH]nc3ccccc23)c1.
What is the InChIKey of 2-[3-chloro-5-(2H-indazol-3-ylmethoxy)phenyl]-N-(4-methyl-3-pyridinyl)acetamide?
The InChIKey is NPHYDTQTNZFMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O2/c1-14-6-7-24-12-20(14)25-22(28)10-15-8-16(23)11-17(9-15)29-13-21-18-4-2-3-5-19(18)26-27-21/h2-9,11-12H,10,13H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 2-[3-chloro-5-(2H-indazol-3-ylmethoxy)phenyl]-N-(4-methyl-3-pyridinyl)acetamide?
2-[3-chloro-5-(2H-indazol-3-ylmethoxy)phenyl]-N-(4-methyl-3-pyridinyl)acetamide has a molecular weight of 406.87 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-(2H-indazol-3-ylmethoxy)phenyl]-N-(4-methyl-3-pyridinyl)acetamide is sourced from PubChem (CID 156907033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).