4-chloro-N-[4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]-4-oxobutyl]benzamide

C19H20ClN5O2 — CID 134024922

IUPAC4-chloro-N-[4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]-4-oxobutyl]benzamide
SMILESCc1nn(C)c2ncc(NC(=O)CCCNC(=O)c3ccc(Cl)cc3)cc12
InChIInChI=1S/C19H20ClN5O2/c1-12-16-10-15(11-22-18(16)25(2)24-12)23-17(26)4-3-9-21-19(27)13-5-7-14(20)8-6-13/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,27)(H,23,26)
InChIKeyHBCLHFBJUQGMCW-UHFFFAOYSA-N
MW385.86 g/mol
LogP3.08
Rot. Bonds6

About 4-chloro-N-[4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]-4-oxobutyl]benzamide

4-chloro-N-[4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]-4-oxobutyl]benzamide (PubChem CID 134024922) has the molecular formula C19H20ClN5O2 and a molecular weight of 385.86 g/mol. Its IUPAC name is 4-chloro-N-[4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]-4-oxobutyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]-4-oxobutyl]benzamide
PubChem CID134024922
Molecular FormulaC19H20ClN5O2
Molecular Weight385.86 g/mol
Exact Mass385.13
IUPAC Name4-chloro-N-[4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]-4-oxobutyl]benzamide
SMILESCc1nn(C)c2ncc(NC(=O)CCCNC(=O)c3ccc(Cl)cc3)cc12
InChIInChI=1S/C19H20ClN5O2/c1-12-16-10-15(11-22-18(16)25(2)24-12)23-17(26)4-3-9-21-19(27)13-5-7-14(20)8-6-13/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,27)(H,23,26)
InChIKeyHBCLHFBJUQGMCW-UHFFFAOYSA-N
XLogP3.08
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.86
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 24660031
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3,4-dimethylbenzamide
CID 51334456
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(4-fluorophenyl)propanamide
CID 51334598
3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 18151405
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 51334690
5-amino-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-methylpentanamide
CID 82011025
1,3-dimethyl-N-[3-(methylamino)propyl]pyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride
CID 119430925
2-(2-chlorophenyl)sulfanyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide
CID 51334528
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-pyridin-3-ylpropanamide
CID 25349353
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 18151396
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 24626413
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide
CID 51334533

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]-4-oxobutyl]benzamide?
The IUPAC name of 4-chloro-N-[4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]-4-oxobutyl]benzamide (CID 134024922) is 4-chloro-N-[4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]-4-oxobutyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]-4-oxobutyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]-4-oxobutyl]benzamide is Cc1nn(C)c2ncc(NC(=O)CCCNC(=O)c3ccc(Cl)cc3)cc12.
What is the InChIKey of 4-chloro-N-[4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]-4-oxobutyl]benzamide?
The InChIKey is HBCLHFBJUQGMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O2/c1-12-16-10-15(11-22-18(16)25(2)24-12)23-17(26)4-3-9-21-19(27)13-5-7-14(20)8-6-13/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,27)(H,23,26).
What are the key properties of 4-chloro-N-[4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]-4-oxobutyl]benzamide?
4-chloro-N-[4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]-4-oxobutyl]benzamide has a molecular weight of 385.86 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]-4-oxobutyl]benzamide is sourced from PubChem (CID 134024922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).