N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

C22H27N5O3S — CID 55477863

IUPACN-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC1CCCN(S(=O)(=O)c2ccc(NC(=O)c3cnc4c(cnn4C(C)C)c3)cc2)C1
InChIInChI=1S/C22H27N5O3S/c1-15(2)27-21-17(13-24-27)11-18(12-23-21)22(28)25-19-6-8-20(9-7-19)31(29,30)26-10-4-5-16(3)14-26/h6-9,11-13,15-16H,4-5,10,14H2,1-3H3,(H,25,28)
InChIKeyHICLZBHJHKWICK-UHFFFAOYSA-N
MW441.56 g/mol
LogP3.69
Rot. Bonds5

About N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 55477863) has the molecular formula C22H27N5O3S and a molecular weight of 441.56 g/mol. Its IUPAC name is N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID55477863
Molecular FormulaC22H27N5O3S
Molecular Weight441.56 g/mol
Exact Mass441.18
IUPAC NameN-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC1CCCN(S(=O)(=O)c2ccc(NC(=O)c3cnc4c(cnn4C(C)C)c3)cc2)C1
InChIInChI=1S/C22H27N5O3S/c1-15(2)27-21-17(13-24-27)11-18(12-23-21)22(28)25-19-6-8-20(9-7-19)31(29,30)26-10-4-5-16(3)14-26/h6-9,11-13,15-16H,4-5,10,14H2,1-3H3,(H,25,28)
InChIKeyHICLZBHJHKWICK-UHFFFAOYSA-N
XLogP3.69
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.56
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4,5-trimethoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17311736
4-(3-methylpiperidin-1-yl)sulfonyl-N-(4-methylsulfanylphenyl)benzamide
CID 16811498
4-methoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17311372
3,5-dimethoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17311561
methyl 6-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]carbamoyl]pyridine-3-carboxylate
CID 43049761
5-chloro-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]-2-propan-2-ylsulfanylpyrimidine-4-carboxamide
CID 40776180
N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743584
N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743581
N-(1,3-benzothiazol-6-yl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 16831300
4-(acetamidomethyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 46820186
N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]quinoline-2-carboxamide
CID 42998438
2-chloro-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17311381

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 55477863) is N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is CC1CCCN(S(=O)(=O)c2ccc(NC(=O)c3cnc4c(cnn4C(C)C)c3)cc2)C1.
What is the InChIKey of N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is HICLZBHJHKWICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3S/c1-15(2)27-21-17(13-24-27)11-18(12-23-21)22(28)25-19-6-8-20(9-7-19)31(29,30)26-10-4-5-16(3)14-26/h6-9,11-13,15-16H,4-5,10,14H2,1-3H3,(H,25,28).
What are the key properties of N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 441.56 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 55477863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).