4-[3-[5-(cyclopropanecarbonylamino)-1-methylpyrazolo[3,4-c]pyridin-3-yl]pyrazol-1-yl]-N,N-dimethylbenzamide

C23H23N7O2 — CID 171839968

IUPAC4-[3-[5-(cyclopropanecarbonylamino)-1-methylpyrazolo[3,4-c]pyridin-3-yl]pyrazol-1-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-n2ccc(-c3nn(C)c4cnc(NC(=O)C5CC5)cc34)n2)cc1
InChIInChI=1S/C23H23N7O2/c1-28(2)23(32)15-6-8-16(9-7-15)30-11-10-18(26-30)21-17-12-20(25-22(31)14-4-5-14)24-13-19(17)29(3)27-21/h6-14H,4-5H2,1-3H3,(H,24,25,31)
InChIKeyLESBDUYMPLWNRB-UHFFFAOYSA-N
MW429.48 g/mol
LogP2.87
Rot. Bonds5

About 4-[3-[5-(cyclopropanecarbonylamino)-1-methylpyrazolo[3,4-c]pyridin-3-yl]pyrazol-1-yl]-N,N-dimethylbenzamide

4-[3-[5-(cyclopropanecarbonylamino)-1-methylpyrazolo[3,4-c]pyridin-3-yl]pyrazol-1-yl]-N,N-dimethylbenzamide (PubChem CID 171839968) has the molecular formula C23H23N7O2 and a molecular weight of 429.48 g/mol. Its IUPAC name is 4-[3-[5-(cyclopropanecarbonylamino)-1-methylpyrazolo[3,4-c]pyridin-3-yl]pyrazol-1-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[3-[5-(cyclopropanecarbonylamino)-1-methylpyrazolo[3,4-c]pyridin-3-yl]pyrazol-1-yl]-N,N-dimethylbenzamide
PubChem CID171839968
Molecular FormulaC23H23N7O2
Molecular Weight429.48 g/mol
Exact Mass429.19
IUPAC Name4-[3-[5-(cyclopropanecarbonylamino)-1-methylpyrazolo[3,4-c]pyridin-3-yl]pyrazol-1-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-n2ccc(-c3nn(C)c4cnc(NC(=O)C5CC5)cc34)n2)cc1
InChIInChI=1S/C23H23N7O2/c1-28(2)23(32)15-6-8-16(9-7-15)30-11-10-18(26-30)21-17-12-20(25-22(31)14-4-5-14)24-13-19(17)29(3)27-21/h6-14H,4-5H2,1-3H3,(H,24,25,31)
InChIKeyLESBDUYMPLWNRB-UHFFFAOYSA-N
XLogP2.87
TPSA97.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[2-[(1S)-1-hydroxyethyl]-1-methylimidazol-4-yl]-1-methylpyrazolo[3,4-c]pyridin-5-yl]cyclopropanecarboxamide
CID 171839960
N-[1-methyl-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]pyrazolo[3,4-c]pyridin-5-yl]cyclopropanecarboxamide
CID 171839946
N-(1-methylpyrazol-3-yl)cyclopropanecarboxamide
CID 19405001
N-[3-[2-methoxy-3-[1-[(3S,4S)-4-methoxyoxolan-3-yl]pyrazol-4-yl]phenyl]-1-methylpyrazolo[3,4-c]pyridin-5-yl]cyclopropanecarboxamide
CID 171839908
N-[4-(dimethylcarbamoyl)phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38825065
N-[8-(methylamino)-5-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170626917
4-[2-(cyclopropanecarbonylamino)phenyl]-N,N-dimethylbenzamide
CID 56717730
3-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-N-(4-fluoro-3-methylphenyl)-N,7-dimethylbenzimidazole-5-carboxamide
CID 171799539
N-[8-(methylamino)-5-([1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170626517
7-(cyclopropanecarbonylamino)-N-methyl-2-[1-(1-methylpyrazol-4-yl)pyrazol-3-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 146592235
N-[8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 178122976
2-(cyclopropanecarbonylamino)-N-methyl-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide
CID 154799962

Frequently Asked Questions

What is the IUPAC name of 4-[3-[5-(cyclopropanecarbonylamino)-1-methylpyrazolo[3,4-c]pyridin-3-yl]pyrazol-1-yl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[3-[5-(cyclopropanecarbonylamino)-1-methylpyrazolo[3,4-c]pyridin-3-yl]pyrazol-1-yl]-N,N-dimethylbenzamide (CID 171839968) is 4-[3-[5-(cyclopropanecarbonylamino)-1-methylpyrazolo[3,4-c]pyridin-3-yl]pyrazol-1-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[3-[5-(cyclopropanecarbonylamino)-1-methylpyrazolo[3,4-c]pyridin-3-yl]pyrazol-1-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[3-[5-(cyclopropanecarbonylamino)-1-methylpyrazolo[3,4-c]pyridin-3-yl]pyrazol-1-yl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(-n2ccc(-c3nn(C)c4cnc(NC(=O)C5CC5)cc34)n2)cc1.
What is the InChIKey of 4-[3-[5-(cyclopropanecarbonylamino)-1-methylpyrazolo[3,4-c]pyridin-3-yl]pyrazol-1-yl]-N,N-dimethylbenzamide?
The InChIKey is LESBDUYMPLWNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O2/c1-28(2)23(32)15-6-8-16(9-7-15)30-11-10-18(26-30)21-17-12-20(25-22(31)14-4-5-14)24-13-19(17)29(3)27-21/h6-14H,4-5H2,1-3H3,(H,24,25,31).
What are the key properties of 4-[3-[5-(cyclopropanecarbonylamino)-1-methylpyrazolo[3,4-c]pyridin-3-yl]pyrazol-1-yl]-N,N-dimethylbenzamide?
4-[3-[5-(cyclopropanecarbonylamino)-1-methylpyrazolo[3,4-c]pyridin-3-yl]pyrazol-1-yl]-N,N-dimethylbenzamide has a molecular weight of 429.48 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[5-(cyclopropanecarbonylamino)-1-methylpyrazolo[3,4-c]pyridin-3-yl]pyrazol-1-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 171839968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).