2,4-dichloro-N-[2-[(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)amino]-2-oxoethyl]benzamide

C22H17Cl2N5O2 — CID 108753739

IUPAC2,4-dichloro-N-[2-[(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)amino]-2-oxoethyl]benzamide
SMILESCc1nn(-c2ccccc2)c2ncc(NC(=O)CNC(=O)c3ccc(Cl)cc3Cl)cc12
InChIInChI=1S/C22H17Cl2N5O2/c1-13-18-10-15(11-25-21(18)29(28-13)16-5-3-2-4-6-16)27-20(30)12-26-22(31)17-8-7-14(23)9-19(17)24/h2-11H,12H2,1H3,(H,26,31)(H,27,30)
InChIKeySXMKDFZGRBJZKB-UHFFFAOYSA-N
MW454.32 g/mol
LogP4.40
Rot. Bonds5

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

2,4-dichloro-N-[2-[(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)amino]-2-oxoethyl]benzamide (PubChem CID 108753739) has the molecular formula C22H17Cl2N5O2 and a molecular weight of 454.32 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-[(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-[(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)amino]-2-oxoethyl]benzamide
PubChem CID108753739
Molecular FormulaC22H17Cl2N5O2
Molecular Weight454.32 g/mol
Exact Mass453.08
IUPAC Name2,4-dichloro-N-[2-[(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)amino]-2-oxoethyl]benzamide
SMILESCc1nn(-c2ccccc2)c2ncc(NC(=O)CNC(=O)c3ccc(Cl)cc3Cl)cc12
InChIInChI=1S/C22H17Cl2N5O2/c1-13-18-10-15(11-25-21(18)29(28-13)16-5-3-2-4-6-16)27-20(30)12-26-22(31)17-8-7-14(23)9-19(17)24/h2-11H,12H2,1H3,(H,26,31)(H,27,30)
InChIKeySXMKDFZGRBJZKB-UHFFFAOYSA-N
XLogP4.40
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.32
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,3,6-trichloro-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)benzamide
CID 108730037
(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)urea
CID 139016323
N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)octadecanamide
CID 108730069
5-methyl-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-1-phenylpyrazole-4-carboxamide
CID 108730123
4-fluoro-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)benzamide
CID 108753718
N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)prop-2-enamide
CID 139018825
4-ethoxy-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)benzamide
CID 108753755
4-(4-methoxyphenoxy)-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)butanamide
CID 108753832
N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-4-naphthalen-2-yloxybutanamide
CID 108753826
2,4-dichloro-N-[2-oxo-2-[[2-oxo-2-(4-phenylanilino)ethyl]amino]ethyl]benzamide
CID 4796634
4-(4-tert-butylphenoxy)-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)butanamide
CID 108753823
3-hydroxy-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)cyclobutane-1-carboxamide
CID 136587863

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-[(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-[(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)amino]-2-oxoethyl]benzamide (CID 108753739) is 2,4-dichloro-N-[2-[(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-[(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-[(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)amino]-2-oxoethyl]benzamide is Cc1nn(-c2ccccc2)c2ncc(NC(=O)CNC(=O)c3ccc(Cl)cc3Cl)cc12.
What is the InChIKey of 2,4-dichloro-N-[2-[(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)amino]-2-oxoethyl]benzamide?
The InChIKey is SXMKDFZGRBJZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N5O2/c1-13-18-10-15(11-25-21(18)29(28-13)16-5-3-2-4-6-16)27-20(30)12-26-22(31)17-8-7-14(23)9-19(17)24/h2-11H,12H2,1H3,(H,26,31)(H,27,30).
What are the key properties of 2,4-dichloro-N-[2-[(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)amino]-2-oxoethyl]benzamide?
2,4-dichloro-N-[2-[(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)amino]-2-oxoethyl]benzamide has a molecular weight of 454.32 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-[(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 108753739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).