N-(3-chlorophenyl)-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide

C23H21ClN4O2 — CID 50791159

IUPACN-(3-chlorophenyl)-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
SMILESCc1cc(OC(C)C(=O)Nc2cccc(Cl)c2)nc2c1c(C)nn2-c1ccccc1
InChIInChI=1S/C23H21ClN4O2/c1-14-12-20(30-16(3)23(29)25-18-9-7-8-17(24)13-18)26-22-21(14)15(2)27-28(22)19-10-5-4-6-11-19/h4-13,16H,1-3H3,(H,25,29)
InChIKeyLNXWHEYXFGGVDV-UHFFFAOYSA-N
MW420.90 g/mol
LogP5.10
Rot. Bonds5

About N-(3-chlorophenyl)-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide

N-(3-chlorophenyl)-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide (PubChem CID 50791159) has the molecular formula C23H21ClN4O2 and a molecular weight of 420.90 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
PubChem CID50791159
Molecular FormulaC23H21ClN4O2
Molecular Weight420.90 g/mol
Exact Mass420.14
IUPAC NameN-(3-chlorophenyl)-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
SMILESCc1cc(OC(C)C(=O)Nc2cccc(Cl)c2)nc2c1c(C)nn2-c1ccccc1
InChIInChI=1S/C23H21ClN4O2/c1-14-12-20(30-16(3)23(29)25-18-9-7-8-17(24)13-18)26-22-21(14)15(2)27-28(22)19-10-5-4-6-11-19/h4-13,16H,1-3H3,(H,25,29)
InChIKeyLNXWHEYXFGGVDV-UHFFFAOYSA-N
XLogP5.10
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.90
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetylphenyl)-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
CID 50791497
(2S)-N-(3-acetylphenyl)-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
CID 94079061
2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(2,4,6-trimethylphenyl)propanamide
CID 50791469
(2R)-N-(2,4-dimethylphenyl)-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
CID 94079048
(2S)-N-benzyl-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
CID 94079007
(2R)-N-benzyl-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
CID 94079008
2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(4-methoxyphenyl)methyl]propanamide
CID 50791329
6-[(3-chlorophenyl)methoxy]-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridine
CID 50793866
(2R)-2-(4-chloro-2-methylphenoxy)-N-(3-chlorophenyl)propanamide
CID 874173
(2R)-2-(3-chlorophenoxy)-N-(3-chlorophenyl)propanamide
CID 966245
2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(1-phenylethyl)acetamide
CID 50799077
[(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
CID 8881800

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide?
The IUPAC name of N-(3-chlorophenyl)-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide (CID 50791159) is N-(3-chlorophenyl)-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide is Cc1cc(OC(C)C(=O)Nc2cccc(Cl)c2)nc2c1c(C)nn2-c1ccccc1.
What is the InChIKey of N-(3-chlorophenyl)-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide?
The InChIKey is LNXWHEYXFGGVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O2/c1-14-12-20(30-16(3)23(29)25-18-9-7-8-17(24)13-18)26-22-21(14)15(2)27-28(22)19-10-5-4-6-11-19/h4-13,16H,1-3H3,(H,25,29).
What are the key properties of N-(3-chlorophenyl)-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide?
N-(3-chlorophenyl)-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide has a molecular weight of 420.90 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide is sourced from PubChem (CID 50791159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).