6-(2-methylphenyl)-N-(piperidin-3-ylmethyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride

C23H31Cl2N5O — CID 119463638

IUPAC6-(2-methylphenyl)-N-(piperidin-3-ylmethyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
SMILESCc1ccccc1-c1cc(C(=O)NCC2CCCNC2)c2cnn(C(C)C)c2n1.Cl.Cl
InChIInChI=1S/C23H29N5O.2ClH/c1-15(2)28-22-20(14-26-28)19(23(29)25-13-17-8-6-10-24-12-17)11-21(27-22)18-9-5-4-7-16(18)3;;/h4-5,7,9,11,14-15,17,24H,6,8,10,12-13H2,1-3H3,(H,25,29);2*1H
InChIKeyXWYFDSNJYKYTAE-UHFFFAOYSA-N
MW464.44 g/mol
LogP4.56
Rot. Bonds5

About 6-(2-methylphenyl)-N-(piperidin-3-ylmethyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride

6-(2-methylphenyl)-N-(piperidin-3-ylmethyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride (PubChem CID 119463638) has the molecular formula C23H31Cl2N5O and a molecular weight of 464.44 g/mol. Its IUPAC name is 6-(2-methylphenyl)-N-(piperidin-3-ylmethyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name6-(2-methylphenyl)-N-(piperidin-3-ylmethyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
PubChem CID119463638
Molecular FormulaC23H31Cl2N5O
Molecular Weight464.44 g/mol
Exact Mass463.19
IUPAC Name6-(2-methylphenyl)-N-(piperidin-3-ylmethyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
SMILESCc1ccccc1-c1cc(C(=O)NCC2CCCNC2)c2cnn(C(C)C)c2n1.Cl.Cl
InChIInChI=1S/C23H29N5O.2ClH/c1-15(2)28-22-20(14-26-28)19(23(29)25-13-17-8-6-10-24-12-17)11-21(27-22)18-9-5-4-7-16(18)3;;/h4-5,7,9,11,14-15,17,24H,6,8,10,12-13H2,1-3H3,(H,25,29);2*1H
InChIKeyXWYFDSNJYKYTAE-UHFFFAOYSA-N
XLogP4.56
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.44
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-methylphenyl)-N-piperidin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119389505
N-[(2R)-2-(ethylamino)propyl]-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 120654233
1-butan-2-yl-6-methyl-N-(piperidin-3-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 119460822
6-methyl-N-(2-piperidin-3-ylethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 119555058
6-(2-methylphenyl)-N-[(3S)-6-oxopiperidin-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 95689858
N-(4-methoxybutyl)-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55724574
6-(2-methylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 17468697
6-phenyl-1-propan-2-yl-N-pyrrolidin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119452068
1-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119533511
N-[4-(diethylamino)-4-oxobutyl]-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 60513563
(4-methyl-1,4-diazepan-1-yl)-[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone
CID 78835832
6-(2-methylphenyl)-1-propan-2-yl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55493577

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylphenyl)-N-(piperidin-3-ylmethyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?
The IUPAC name of 6-(2-methylphenyl)-N-(piperidin-3-ylmethyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride (CID 119463638) is 6-(2-methylphenyl)-N-(piperidin-3-ylmethyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride.
What is the SMILES notation for 6-(2-methylphenyl)-N-(piperidin-3-ylmethyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?
The canonical SMILES for 6-(2-methylphenyl)-N-(piperidin-3-ylmethyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride is Cc1ccccc1-c1cc(C(=O)NCC2CCCNC2)c2cnn(C(C)C)c2n1.Cl.Cl.
What is the InChIKey of 6-(2-methylphenyl)-N-(piperidin-3-ylmethyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?
The InChIKey is XWYFDSNJYKYTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O.2ClH/c1-15(2)28-22-20(14-26-28)19(23(29)25-13-17-8-6-10-24-12-17)11-21(27-22)18-9-5-4-7-16(18)3;;/h4-5,7,9,11,14-15,17,24H,6,8,10,12-13H2,1-3H3,(H,25,29);2*1H.
What are the key properties of 6-(2-methylphenyl)-N-(piperidin-3-ylmethyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?
6-(2-methylphenyl)-N-(piperidin-3-ylmethyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride has a molecular weight of 464.44 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylphenyl)-N-(piperidin-3-ylmethyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119463638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).