4-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N-methylbenzamide

C23H25N5O2 — CID 121373202

IUPAC4-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2ccc(Nc3nn(C)c4c3CN(C(C)=O)CC4)cc2)cc1
InChIInChI=1S/C23H25N5O2/c1-15(29)28-13-12-21-20(14-28)22(26-27(21)3)25-19-10-8-17(9-11-19)16-4-6-18(7-5-16)23(30)24-2/h4-11H,12-14H2,1-3H3,(H,24,30)(H,25,26)
InChIKeyZRLZPNNXCPGHFH-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.09
Rot. Bonds4

About 4-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N-methylbenzamide

4-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N-methylbenzamide (PubChem CID 121373202) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 4-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N-methylbenzamide
PubChem CID121373202
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name4-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2ccc(Nc3nn(C)c4c3CN(C(C)=O)CC4)cc2)cc1
InChIInChI=1S/C23H25N5O2/c1-15(29)28-13-12-21-20(14-28)22(26-27(21)3)25-19-10-8-17(9-11-19)16-4-6-18(7-5-16)23(30)24-2/h4-11H,12-14H2,1-3H3,(H,24,30)(H,25,26)
InChIKeyZRLZPNNXCPGHFH-UHFFFAOYSA-N
XLogP3.09
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N-methylbenzamide?
The IUPAC name of 4-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N-methylbenzamide (CID 121373202) is 4-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N-methylbenzamide.
What is the SMILES notation for 4-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N-methylbenzamide?
The canonical SMILES for 4-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N-methylbenzamide is CNC(=O)c1ccc(-c2ccc(Nc3nn(C)c4c3CN(C(C)=O)CC4)cc2)cc1.
What is the InChIKey of 4-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N-methylbenzamide?
The InChIKey is ZRLZPNNXCPGHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-15(29)28-13-12-21-20(14-28)22(26-27(21)3)25-19-10-8-17(9-11-19)16-4-6-18(7-5-16)23(30)24-2/h4-11H,12-14H2,1-3H3,(H,24,30)(H,25,26).
What are the key properties of 4-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N-methylbenzamide?
4-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N-methylbenzamide has a molecular weight of 403.49 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N-methylbenzamide is sourced from PubChem (CID 121373202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).