2-(2,4-dichlorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-morpholin-4-ylacetamide

C19H19Cl2N5O2 — CID 138995622

IUPAC2-(2,4-dichlorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-morpholin-4-ylacetamide
SMILESCc1[nH]nc2ncc(NC(=O)C(c3ccc(Cl)cc3Cl)N3CCOCC3)cc12
InChIInChI=1S/C19H19Cl2N5O2/c1-11-15-9-13(10-22-18(15)25-24-11)23-19(27)17(26-4-6-28-7-5-26)14-3-2-12(20)8-16(14)21/h2-3,8-10,17H,4-7H2,1H3,(H,23,27)(H,22,24,25)
InChIKeyMEDGZBVLFTWJKG-UHFFFAOYSA-N
MW420.30 g/mol
LogP3.59
Rot. Bonds4

About 2-(2,4-dichlorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-morpholin-4-ylacetamide

2-(2,4-dichlorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-morpholin-4-ylacetamide (PubChem CID 138995622) has the molecular formula C19H19Cl2N5O2 and a molecular weight of 420.30 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-morpholin-4-ylacetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-morpholin-4-ylacetamide
PubChem CID138995622
Molecular FormulaC19H19Cl2N5O2
Molecular Weight420.30 g/mol
Exact Mass419.09
IUPAC Name2-(2,4-dichlorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-morpholin-4-ylacetamide
SMILESCc1[nH]nc2ncc(NC(=O)C(c3ccc(Cl)cc3Cl)N3CCOCC3)cc12
InChIInChI=1S/C19H19Cl2N5O2/c1-11-15-9-13(10-22-18(15)25-24-11)23-19(27)17(26-4-6-28-7-5-26)14-3-2-12(20)8-16(14)21/h2-3,8-10,17H,4-7H2,1H3,(H,23,27)(H,22,24,25)
InChIKeyMEDGZBVLFTWJKG-UHFFFAOYSA-N
XLogP3.59
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.30
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dichlorophenyl)-N-(2-methylimidazo[1,2-a]pyridin-6-yl)-2-morpholin-4-ylacetamide
CID 139005024
(2S)-2-(2,4-dichlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-2-morpholin-4-ylacetamide
CID 97009143
(2S)-N-[3-(carbamoylamino)phenyl]-2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetamide
CID 97217806
N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 166194797
1-(4-methyloxan-4-yl)-3-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)urea
CID 75447177
4-[[2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetyl]amino]butanoic acid
CID 119352757
2,3-dichloro-N-[1-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)amino]-1-oxopropan-2-yl]benzamide
CID 86843524
(2S)-2-(2,4-dichlorophenyl)-N-[(1R,2R)-2-methylcyclohexyl]-2-morpholin-4-ylacetamide
CID 100899496
2-(2,4-dichlorophenyl)-N-(2,6-dimethylphenyl)-2-piperidin-1-ylacetamide
CID 3108201
5-chloro-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 86843309
2-(4-chlorophenyl)-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-2-morpholin-4-ylacetamide
CID 46977298
1-(3-chlorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)cyclobutane-1-carboxamide
CID 86843439

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-morpholin-4-ylacetamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-morpholin-4-ylacetamide (CID 138995622) is 2-(2,4-dichlorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-morpholin-4-ylacetamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-morpholin-4-ylacetamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-morpholin-4-ylacetamide is Cc1[nH]nc2ncc(NC(=O)C(c3ccc(Cl)cc3Cl)N3CCOCC3)cc12.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-morpholin-4-ylacetamide?
The InChIKey is MEDGZBVLFTWJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N5O2/c1-11-15-9-13(10-22-18(15)25-24-11)23-19(27)17(26-4-6-28-7-5-26)14-3-2-12(20)8-16(14)21/h2-3,8-10,17H,4-7H2,1H3,(H,23,27)(H,22,24,25).
What are the key properties of 2-(2,4-dichlorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-morpholin-4-ylacetamide?
2-(2,4-dichlorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-morpholin-4-ylacetamide has a molecular weight of 420.30 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-morpholin-4-ylacetamide is sourced from PubChem (CID 138995622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).