4-(1-ethylpiperidin-4-yl)-1-(4-fluorophenyl)-N-methylsulfonyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide

C24H30FN5O3S — CID 172861705

IUPAC4-(1-ethylpiperidin-4-yl)-1-(4-fluorophenyl)-N-methylsulfonyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide
SMILESCCN1CCC(c2cc(C(=O)NS(C)(=O)=O)nc3c2c(C(C)C)nn3-c2ccc(F)cc2)CC1
InChIInChI=1S/C24H30FN5O3S/c1-5-29-12-10-16(11-13-29)19-14-20(24(31)28-34(4,32)33)26-23-21(19)22(15(2)3)27-30(23)18-8-6-17(25)7-9-18/h6-9,14-16H,5,10-13H2,1-4H3,(H,28,31)
InChIKeyZLAWSUATWMMLMM-UHFFFAOYSA-N
MW487.60 g/mol
LogP3.57
Rot. Bonds6

About 4-(1-ethylpiperidin-4-yl)-1-(4-fluorophenyl)-N-methylsulfonyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide

4-(1-ethylpiperidin-4-yl)-1-(4-fluorophenyl)-N-methylsulfonyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide (PubChem CID 172861705) has the molecular formula C24H30FN5O3S and a molecular weight of 487.60 g/mol. Its IUPAC name is 4-(1-ethylpiperidin-4-yl)-1-(4-fluorophenyl)-N-methylsulfonyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name4-(1-ethylpiperidin-4-yl)-1-(4-fluorophenyl)-N-methylsulfonyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide
PubChem CID172861705
Molecular FormulaC24H30FN5O3S
Molecular Weight487.60 g/mol
Exact Mass487.21
IUPAC Name4-(1-ethylpiperidin-4-yl)-1-(4-fluorophenyl)-N-methylsulfonyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide
SMILESCCN1CCC(c2cc(C(=O)NS(C)(=O)=O)nc3c2c(C(C)C)nn3-c2ccc(F)cc2)CC1
InChIInChI=1S/C24H30FN5O3S/c1-5-29-12-10-16(11-13-29)19-14-20(24(31)28-34(4,32)33)26-23-21(19)22(15(2)3)27-30(23)18-8-6-17(25)7-9-18/h6-9,14-16H,5,10-13H2,1-4H3,(H,28,31)
InChIKeyZLAWSUATWMMLMM-UHFFFAOYSA-N
XLogP3.57
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.60
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(dioxan-4-ylmethoxy)-1-(4-fluorophenyl)-N-methylsulfonyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 175083925
methyl 1-(4-fluorophenyl)-4-piperidin-4-yl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;hydrochloride
CID 126753168
2-[1-(4-fluorophenyl)-4-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridin-6-yl]-N-methylsulfonylacetamide
CID 164606437
N-(dimethylsulfamoyl)-1-(4-fluorophenyl)-4-(4-morpholin-4-ylpiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 126741598
3-cyclobutyl-1-(4-fluorophenyl)-N-methylsulfonyl-4-(1-piperidin-4-ylpiperidin-2-yl)pyrazolo[5,4-b]pyridine-6-carboxamide
CID 126753185
4-[4-(cyclohexylmethyl)piperidin-1-yl]-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743725
1-(4-fluorophenyl)-4-(oxan-4-ylmethoxy)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742566
1-(4-fluorophenyl)-4-[4-[4-(2-methoxyethyl)piperazin-1-yl]piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743419
6-cyclopropyl-4-(difluoromethyl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine
CID 44823468
methyl 1-(4-fluorophenyl)-4-(oxane-4-carbonylamino)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126743252
3-cyclobutyl-1-(4-fluorophenyl)-4-[1-(oxan-4-ylmethyl)piperidin-4-yl]pyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742585
1-(4-fluorophenyl)-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxy]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126741447

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylpiperidin-4-yl)-1-(4-fluorophenyl)-N-methylsulfonyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide?
The IUPAC name of 4-(1-ethylpiperidin-4-yl)-1-(4-fluorophenyl)-N-methylsulfonyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide (CID 172861705) is 4-(1-ethylpiperidin-4-yl)-1-(4-fluorophenyl)-N-methylsulfonyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide.
What is the SMILES notation for 4-(1-ethylpiperidin-4-yl)-1-(4-fluorophenyl)-N-methylsulfonyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide?
The canonical SMILES for 4-(1-ethylpiperidin-4-yl)-1-(4-fluorophenyl)-N-methylsulfonyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide is CCN1CCC(c2cc(C(=O)NS(C)(=O)=O)nc3c2c(C(C)C)nn3-c2ccc(F)cc2)CC1.
What is the InChIKey of 4-(1-ethylpiperidin-4-yl)-1-(4-fluorophenyl)-N-methylsulfonyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide?
The InChIKey is ZLAWSUATWMMLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN5O3S/c1-5-29-12-10-16(11-13-29)19-14-20(24(31)28-34(4,32)33)26-23-21(19)22(15(2)3)27-30(23)18-8-6-17(25)7-9-18/h6-9,14-16H,5,10-13H2,1-4H3,(H,28,31).
What are the key properties of 4-(1-ethylpiperidin-4-yl)-1-(4-fluorophenyl)-N-methylsulfonyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide?
4-(1-ethylpiperidin-4-yl)-1-(4-fluorophenyl)-N-methylsulfonyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide has a molecular weight of 487.60 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylpiperidin-4-yl)-1-(4-fluorophenyl)-N-methylsulfonyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide is sourced from PubChem (CID 172861705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).