2,3-dichloro-N-[1-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)amino]-1-oxopropan-2-yl]benzamide

C17H15Cl2N5O2 — CID 86843524

IUPAC2,3-dichloro-N-[1-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)amino]-1-oxopropan-2-yl]benzamide
SMILESCc1[nH]nc2ncc(NC(=O)C(C)NC(=O)c3cccc(Cl)c3Cl)cc12
InChIInChI=1S/C17H15Cl2N5O2/c1-8-12-6-10(7-20-15(12)24-23-8)22-16(25)9(2)21-17(26)11-4-3-5-13(18)14(11)19/h3-7,9H,1-2H3,(H,21,26)(H,22,25)(H,20,23,24)
InChIKeyWCMZCMWOGSDLKJ-UHFFFAOYSA-N
MW392.25 g/mol
LogP3.33
Rot. Bonds4

About 2,3-dichloro-N-[1-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)amino]-1-oxopropan-2-yl]benzamide

2,3-dichloro-N-[1-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)amino]-1-oxopropan-2-yl]benzamide (PubChem CID 86843524) has the molecular formula C17H15Cl2N5O2 and a molecular weight of 392.25 g/mol. Its IUPAC name is 2,3-dichloro-N-[1-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)amino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[1-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)amino]-1-oxopropan-2-yl]benzamide
PubChem CID86843524
Molecular FormulaC17H15Cl2N5O2
Molecular Weight392.25 g/mol
Exact Mass391.06
IUPAC Name2,3-dichloro-N-[1-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)amino]-1-oxopropan-2-yl]benzamide
SMILESCc1[nH]nc2ncc(NC(=O)C(C)NC(=O)c3cccc(Cl)c3Cl)cc12
InChIInChI=1S/C17H15Cl2N5O2/c1-8-12-6-10(7-20-15(12)24-23-8)22-16(25)9(2)21-17(26)11-4-3-5-13(18)14(11)19/h3-7,9H,1-2H3,(H,21,26)(H,22,25)(H,20,23,24)
InChIKeyWCMZCMWOGSDLKJ-UHFFFAOYSA-N
XLogP3.33
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.25
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dichloro-N-[1-[(6-methoxy-3-pyridinyl)amino]-1-oxopropan-2-yl]benzamide
CID 55740603
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CID 55852819
2,3-dichloro-N-[1-[[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]amino]-1-oxopropan-2-yl]benzamide
CID 56552360
2-amino-3-methoxy-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide;hydrochloride
CID 120987482
N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-(propanoylamino)benzamide
CID 86843550
4,5-dimethyl-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide
CID 90241214
N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 139010453
2,3-dichloro-N-[1-oxo-1-[(5-piperidin-1-yl-2-pyridinyl)amino]propan-2-yl]benzamide
CID 78901120
2,3-dichloro-N-[1-[[4-(2-methylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 78897550
5-chloro-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 86843309
N-[(2S)-1-(3-bromoanilino)-1-oxopropan-2-yl]-2-chlorobenzamide
CID 9038644
2-chloro-N-[1-[3-[(2-methoxyacetyl)amino]anilino]-1-oxopropan-2-yl]benzamide
CID 46579661

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[1-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)amino]-1-oxopropan-2-yl]benzamide?
The IUPAC name of 2,3-dichloro-N-[1-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)amino]-1-oxopropan-2-yl]benzamide (CID 86843524) is 2,3-dichloro-N-[1-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)amino]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[1-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)amino]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[1-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)amino]-1-oxopropan-2-yl]benzamide is Cc1[nH]nc2ncc(NC(=O)C(C)NC(=O)c3cccc(Cl)c3Cl)cc12.
What is the InChIKey of 2,3-dichloro-N-[1-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)amino]-1-oxopropan-2-yl]benzamide?
The InChIKey is WCMZCMWOGSDLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N5O2/c1-8-12-6-10(7-20-15(12)24-23-8)22-16(25)9(2)21-17(26)11-4-3-5-13(18)14(11)19/h3-7,9H,1-2H3,(H,21,26)(H,22,25)(H,20,23,24).
What are the key properties of 2,3-dichloro-N-[1-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)amino]-1-oxopropan-2-yl]benzamide?
2,3-dichloro-N-[1-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)amino]-1-oxopropan-2-yl]benzamide has a molecular weight of 392.25 g/mol, XLogP of 3.33, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[1-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)amino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 86843524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).