N-[3-chloro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-2-(dimethylamino)acetamide

C21H22ClN7O — CID 134327736

IUPACN-[3-chloro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-2-(dimethylamino)acetamide
SMILESCc1cc(NC(=O)CN(C)C)cc(Cl)c1-c1cc2c(-c3cnn(C)c3)n[nH]c2cn1
InChIInChI=1S/C21H22ClN7O/c1-12-5-14(25-19(30)11-28(2)3)6-16(22)20(12)17-7-15-18(9-23-17)26-27-21(15)13-8-24-29(4)10-13/h5-10H,11H2,1-4H3,(H,25,30)(H,26,27)
InChIKeyCEEBFYOWZHDORQ-UHFFFAOYSA-N
MW423.91 g/mol
LogP3.49
Rot. Bonds5

About N-[3-chloro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-2-(dimethylamino)acetamide

N-[3-chloro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-2-(dimethylamino)acetamide (PubChem CID 134327736) has the molecular formula C21H22ClN7O and a molecular weight of 423.91 g/mol. Its IUPAC name is N-[3-chloro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-2-(dimethylamino)acetamide.

Molecular Properties

Compound NameN-[3-chloro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-2-(dimethylamino)acetamide
PubChem CID134327736
Molecular FormulaC21H22ClN7O
Molecular Weight423.91 g/mol
Exact Mass423.16
IUPAC NameN-[3-chloro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-2-(dimethylamino)acetamide
SMILESCc1cc(NC(=O)CN(C)C)cc(Cl)c1-c1cc2c(-c3cnn(C)c3)n[nH]c2cn1
InChIInChI=1S/C21H22ClN7O/c1-12-5-14(25-19(30)11-28(2)3)6-16(22)20(12)17-7-15-18(9-23-17)26-27-21(15)13-8-24-29(4)10-13/h5-10H,11H2,1-4H3,(H,25,30)(H,26,27)
InChIKeyCEEBFYOWZHDORQ-UHFFFAOYSA-N
XLogP3.49
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.91
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-2-(dimethylamino)acetamide?
The IUPAC name of N-[3-chloro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-2-(dimethylamino)acetamide (CID 134327736) is N-[3-chloro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-2-(dimethylamino)acetamide.
What is the SMILES notation for N-[3-chloro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-2-(dimethylamino)acetamide?
The canonical SMILES for N-[3-chloro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-2-(dimethylamino)acetamide is Cc1cc(NC(=O)CN(C)C)cc(Cl)c1-c1cc2c(-c3cnn(C)c3)n[nH]c2cn1.
What is the InChIKey of N-[3-chloro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-2-(dimethylamino)acetamide?
The InChIKey is CEEBFYOWZHDORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN7O/c1-12-5-14(25-19(30)11-28(2)3)6-16(22)20(12)17-7-15-18(9-23-17)26-27-21(15)13-8-24-29(4)10-13/h5-10H,11H2,1-4H3,(H,25,30)(H,26,27).
What are the key properties of N-[3-chloro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-2-(dimethylamino)acetamide?
N-[3-chloro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-2-(dimethylamino)acetamide has a molecular weight of 423.91 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-2-(dimethylamino)acetamide is sourced from PubChem (CID 134327736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).