1-[3-(dimethylamino)phenyl]-4-(4-methylpiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;formonitrile

C25H32N6O2 — CID 161108893

IUPAC1-[3-(dimethylamino)phenyl]-4-(4-methylpiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;formonitrile
SMILESC#N.CC1CCN(c2cc(C(=O)O)nc3c2c(C(C)C)nn3-c2cccc(N(C)C)c2)CC1
InChIInChI=1S/C24H31N5O2.CHN/c1-15(2)22-21-20(28-11-9-16(3)10-12-28)14-19(24(30)31)25-23(21)29(26-22)18-8-6-7-17(13-18)27(4)5;1-2/h6-8,13-16H,9-12H2,1-5H3,(H,30,31);1H
InChIKeyUJKXZQVQZNRIJZ-UHFFFAOYSA-N
MW448.57 g/mol
LogP4.68
Rot. Bonds5

About 1-[3-(dimethylamino)phenyl]-4-(4-methylpiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;formonitrile

1-[3-(dimethylamino)phenyl]-4-(4-methylpiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;formonitrile (PubChem CID 161108893) has the molecular formula C25H32N6O2 and a molecular weight of 448.57 g/mol. Its IUPAC name is 1-[3-(dimethylamino)phenyl]-4-(4-methylpiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;formonitrile.

Molecular Properties

Compound Name1-[3-(dimethylamino)phenyl]-4-(4-methylpiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;formonitrile
PubChem CID161108893
Molecular FormulaC25H32N6O2
Molecular Weight448.57 g/mol
Exact Mass448.26
IUPAC Name1-[3-(dimethylamino)phenyl]-4-(4-methylpiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;formonitrile
SMILESC#N.CC1CCN(c2cc(C(=O)O)nc3c2c(C(C)C)nn3-c2cccc(N(C)C)c2)CC1
InChIInChI=1S/C24H31N5O2.CHN/c1-15(2)22-21-20(28-11-9-16(3)10-12-28)14-19(24(30)31)25-23(21)29(26-22)18-8-6-7-17(13-18)27(4)5;1-2/h6-8,13-16H,9-12H2,1-5H3,(H,30,31);1H
InChIKeyUJKXZQVQZNRIJZ-UHFFFAOYSA-N
XLogP4.68
TPSA98.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[3-(dimethylamino)phenyl]-4-(4-methylpiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;formonitrile with MolForge

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Related Compounds

6-phenyl-1-[(pyridin-4-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 7064016
5,7-Diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 771943
1-(4-Chlorophenyl)-6-methyl-3-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 129147662
6-(4-Benzoylphenyl)-1-(Pyridin-4-Ylmethyl)-1h-Pyrazolo[3,4-B]pyridine-4-Carboxylic Acid
CID 60196213
1h-Pyrrolo[2,3-b]pyridine-6-carboxylic acid,3-cyclohexyl-1-methyl-2-phenyl-
CID 514293
3-Cyclohexyl-1-[2-(dimethylamino)-2-oxo-ethyl]-2-phenyl-pyrrolo[2,3-b]pyridine-6-carboxylic acid
CID 16072895
1-(4-Fluorophenyl)-3-isopropyl-6-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 25247546
2-Methyl-3-(2-methyl-3-(trifluoromethyl)benzyl)-5-morpholinopyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 56927258
7-Methyl-5-phenylpyrazolo(1,5-a)pyrimidine-2-carboxylic acid
CID 776256
6-phenyl-1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 2535053
2,7-Dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 7061944
6-Ethyl-1-(4-fluorophenyl)-3-pentan-3-yl-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 146036004

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)phenyl]-4-(4-methylpiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;formonitrile?
The IUPAC name of 1-[3-(dimethylamino)phenyl]-4-(4-methylpiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;formonitrile (CID 161108893) is 1-[3-(dimethylamino)phenyl]-4-(4-methylpiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;formonitrile.
What is the SMILES notation for 1-[3-(dimethylamino)phenyl]-4-(4-methylpiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;formonitrile?
The canonical SMILES for 1-[3-(dimethylamino)phenyl]-4-(4-methylpiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;formonitrile is C#N.CC1CCN(c2cc(C(=O)O)nc3c2c(C(C)C)nn3-c2cccc(N(C)C)c2)CC1.
What is the InChIKey of 1-[3-(dimethylamino)phenyl]-4-(4-methylpiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;formonitrile?
The InChIKey is UJKXZQVQZNRIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2.CHN/c1-15(2)22-21-20(28-11-9-16(3)10-12-28)14-19(24(30)31)25-23(21)29(26-22)18-8-6-7-17(13-18)27(4)5;1-2/h6-8,13-16H,9-12H2,1-5H3,(H,30,31);1H.
What are the key properties of 1-[3-(dimethylamino)phenyl]-4-(4-methylpiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;formonitrile?
1-[3-(dimethylamino)phenyl]-4-(4-methylpiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;formonitrile has a molecular weight of 448.57 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)phenyl]-4-(4-methylpiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;formonitrile is sourced from PubChem (CID 161108893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).