4-chloro-N-[(4-ethylphenyl)carbamoyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide

C18H18ClN5O2 — CID 142159249

IUPAC4-chloro-N-[(4-ethylphenyl)carbamoyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCc1ccc(NC(=O)NC(=O)c2cnc3c(c(C)nn3C)c2Cl)cc1
InChIInChI=1S/C18H18ClN5O2/c1-4-11-5-7-12(8-6-11)21-18(26)22-17(25)13-9-20-16-14(15(13)19)10(2)23-24(16)3/h5-9H,4H2,1-3H3,(H2,21,22,25,26)
InChIKeyHNBQJHIPDMNVGR-UHFFFAOYSA-N
MW371.83 g/mol
LogP3.45
Rot. Bonds3

About 4-chloro-N-[(4-ethylphenyl)carbamoyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide

4-chloro-N-[(4-ethylphenyl)carbamoyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 142159249) has the molecular formula C18H18ClN5O2 and a molecular weight of 371.83 g/mol. Its IUPAC name is 4-chloro-N-[(4-ethylphenyl)carbamoyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(4-ethylphenyl)carbamoyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID142159249
Molecular FormulaC18H18ClN5O2
Molecular Weight371.83 g/mol
Exact Mass371.11
IUPAC Name4-chloro-N-[(4-ethylphenyl)carbamoyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCc1ccc(NC(=O)NC(=O)c2cnc3c(c(C)nn3C)c2Cl)cc1
InChIInChI=1S/C18H18ClN5O2/c1-4-11-5-7-12(8-6-11)21-18(26)22-17(25)13-9-20-16-14(15(13)19)10(2)23-24(16)3/h5-9H,4H2,1-3H3,(H2,21,22,25,26)
InChIKeyHNBQJHIPDMNVGR-UHFFFAOYSA-N
XLogP3.45
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.83
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 2780603
4-chloro-N-(4-ethylphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7423455
4-chloro-N,1-bis(4-chlorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 122458784
1-(4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)ethanone
CID 70807283
3,4-dichloro-N-(4-chlorophenyl)-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 122457407
1-benzyl-4-chloro-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 135253078
4-chloro-1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 135253280
4-chloro-N-[2-chloro-4-[[4-chloro-5-[(3-chlorophenyl)carbamoyl]-1-methylpyrazolo[3,4-b]pyridin-3-yl]methyl]phenyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 146779326
4-chloro-3-methyl-N-(4-methylphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 145130823
4-chloro-1,3-dimethyl-N-[(3-propan-2-yloxyphenyl)carbamoyl]pyrazolo[3,4-b]pyridine-5-carboxamide;ethyl 1-[1,3-dimethyl-5-[(3-propan-2-yloxyphenyl)carbamoylcarbamoyl]pyrazolo[3,4-b]pyridin-4-yl]piperidine-4-carboxylate;ethyl piperidine-4-carboxylate
CID 157188898
4-chloro-N-(4-chlorophenyl)-3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 122457031
N-[[3-chloro-4-(morpholine-4-carbonyl)phenyl]carbamoyl]-1,3-dimethyl-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 10280984

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4-ethylphenyl)carbamoyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 4-chloro-N-[(4-ethylphenyl)carbamoyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 142159249) is 4-chloro-N-[(4-ethylphenyl)carbamoyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[(4-ethylphenyl)carbamoyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 4-chloro-N-[(4-ethylphenyl)carbamoyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide is CCc1ccc(NC(=O)NC(=O)c2cnc3c(c(C)nn3C)c2Cl)cc1.
What is the InChIKey of 4-chloro-N-[(4-ethylphenyl)carbamoyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is HNBQJHIPDMNVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O2/c1-4-11-5-7-12(8-6-11)21-18(26)22-17(25)13-9-20-16-14(15(13)19)10(2)23-24(16)3/h5-9H,4H2,1-3H3,(H2,21,22,25,26).
What are the key properties of 4-chloro-N-[(4-ethylphenyl)carbamoyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
4-chloro-N-[(4-ethylphenyl)carbamoyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 371.83 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4-ethylphenyl)carbamoyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 142159249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).