1,3-dimethyl-N-[3-(piperidin-1-ylmethyl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide

C21H25N5O — CID 34452654

IUPAC1,3-dimethyl-N-[3-(piperidin-1-ylmethyl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2ncc(C(=O)Nc3cccc(CN4CCCCC4)c3)cc12
InChIInChI=1S/C21H25N5O/c1-15-19-12-17(13-22-20(19)25(2)24-15)21(27)23-18-8-6-7-16(11-18)14-26-9-4-3-5-10-26/h6-8,11-13H,3-5,9-10,14H2,1-2H3,(H,23,27)
InChIKeyXUDONWACMPDWTB-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.51
Rot. Bonds4

About 1,3-dimethyl-N-[3-(piperidin-1-ylmethyl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide

1,3-dimethyl-N-[3-(piperidin-1-ylmethyl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 34452654) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 1,3-dimethyl-N-[3-(piperidin-1-ylmethyl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-[3-(piperidin-1-ylmethyl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID34452654
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name1,3-dimethyl-N-[3-(piperidin-1-ylmethyl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2ncc(C(=O)Nc3cccc(CN4CCCCC4)c3)cc12
InChIInChI=1S/C21H25N5O/c1-15-19-12-17(13-22-20(19)25(2)24-15)21(27)23-18-8-6-7-16(11-18)14-26-9-4-3-5-10-26/h6-8,11-13H,3-5,9-10,14H2,1-2H3,(H,23,27)
InChIKeyXUDONWACMPDWTB-UHFFFAOYSA-N
XLogP3.51
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-dimethyl-N-[4-(morpholin-4-ylmethyl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 86917104
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 31344415
N-[3-[(2-methoxyacetyl)amino]phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 39997561
1,3-dimethyl-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 86956967
N-[3-[(3-cyanophenyl)methoxy]phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 39500397
N-[4-(2-hydroxyethyl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 110902184
N-[4-(diethylamino)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 30898812
1,4-dichloro-N-[3-(piperidin-1-ylmethyl)phenyl]phthalazine-6-carboxamide
CID 86620972
N-[4-(dimethylamino)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78839537
1,3-dimethyl-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 78860229
N-(4-methoxyphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 31316920
4-piperidin-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 131945744

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[3-(piperidin-1-ylmethyl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of 1,3-dimethyl-N-[3-(piperidin-1-ylmethyl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide (CID 34452654) is 1,3-dimethyl-N-[3-(piperidin-1-ylmethyl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-[3-(piperidin-1-ylmethyl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-[3-(piperidin-1-ylmethyl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide is Cc1nn(C)c2ncc(C(=O)Nc3cccc(CN4CCCCC4)c3)cc12.
What is the InChIKey of 1,3-dimethyl-N-[3-(piperidin-1-ylmethyl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is XUDONWACMPDWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-15-19-12-17(13-22-20(19)25(2)24-15)21(27)23-18-8-6-7-16(11-18)14-26-9-4-3-5-10-26/h6-8,11-13H,3-5,9-10,14H2,1-2H3,(H,23,27).
What are the key properties of 1,3-dimethyl-N-[3-(piperidin-1-ylmethyl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide?
1,3-dimethyl-N-[3-(piperidin-1-ylmethyl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 363.47 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[3-(piperidin-1-ylmethyl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 34452654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).