4-[(1-acetylpiperidin-4-yl)methoxy]-1-(4-fluorophenyl)-5-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid

C25H29FN4O4 — CID 126753589

IUPAC4-[(1-acetylpiperidin-4-yl)methoxy]-1-(4-fluorophenyl)-5-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCC(=O)N1CCC(COc2c(C)c(C(=O)O)nc3c2c(C(C)C)nn3-c2ccc(F)cc2)CC1
InChIInChI=1S/C25H29FN4O4/c1-14(2)21-20-23(34-13-17-9-11-29(12-10-17)16(4)31)15(3)22(25(32)33)27-24(20)30(28-21)19-7-5-18(26)6-8-19/h5-8,14,17H,9-13H2,1-4H3,(H,32,33)
InChIKeyICRBSYSKWUCITN-UHFFFAOYSA-N
MW468.53 g/mol
LogP4.33
Rot. Bonds6

About 4-[(1-acetylpiperidin-4-yl)methoxy]-1-(4-fluorophenyl)-5-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid

4-[(1-acetylpiperidin-4-yl)methoxy]-1-(4-fluorophenyl)-5-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid (PubChem CID 126753589) has the molecular formula C25H29FN4O4 and a molecular weight of 468.53 g/mol. Its IUPAC name is 4-[(1-acetylpiperidin-4-yl)methoxy]-1-(4-fluorophenyl)-5-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name4-[(1-acetylpiperidin-4-yl)methoxy]-1-(4-fluorophenyl)-5-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
PubChem CID126753589
Molecular FormulaC25H29FN4O4
Molecular Weight468.53 g/mol
Exact Mass468.22
IUPAC Name4-[(1-acetylpiperidin-4-yl)methoxy]-1-(4-fluorophenyl)-5-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCC(=O)N1CCC(COc2c(C)c(C(=O)O)nc3c2c(C(C)C)nn3-c2ccc(F)cc2)CC1
InChIInChI=1S/C25H29FN4O4/c1-14(2)21-20-23(34-13-17-9-11-29(12-10-17)16(4)31)15(3)22(25(32)33)27-24(20)30(28-21)19-7-5-18(26)6-8-19/h5-8,14,17H,9-13H2,1-4H3,(H,32,33)
InChIKeyICRBSYSKWUCITN-UHFFFAOYSA-N
XLogP4.33
TPSA97.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
1-(4-fluorophenyl)-4-(oxan-4-ylmethoxy)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742566
4-[4-(cyclohexylmethyl)piperidin-1-yl]-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743725
4-(dioxan-4-ylmethoxy)-1-(4-fluorophenyl)-N-methylsulfonyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 175083925
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
2-[[1-(4-fluorophenyl)-6-methyl-3-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl]methyl]butanoic acid
CID 155514875
4-[4-(2-ethoxyethyl)-4-fluoropiperidin-1-yl]-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742699
methyl 1-(4-fluorophenyl)-4-piperidin-4-yl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;hydrochloride
CID 126753168
6-cyclopropyl-4-(difluoromethyl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine
CID 44823468
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
2-[(1-acetylpiperidin-4-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-one
CID 46958873
methyl 1-(4-fluorophenyl)-4-(1-oxa-8-azaspiro[4.5]decan-8-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126742050

Frequently Asked Questions

What is the IUPAC name of 4-[(1-acetylpiperidin-4-yl)methoxy]-1-(4-fluorophenyl)-5-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The IUPAC name of 4-[(1-acetylpiperidin-4-yl)methoxy]-1-(4-fluorophenyl)-5-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid (CID 126753589) is 4-[(1-acetylpiperidin-4-yl)methoxy]-1-(4-fluorophenyl)-5-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 4-[(1-acetylpiperidin-4-yl)methoxy]-1-(4-fluorophenyl)-5-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The canonical SMILES for 4-[(1-acetylpiperidin-4-yl)methoxy]-1-(4-fluorophenyl)-5-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid is CC(=O)N1CCC(COc2c(C)c(C(=O)O)nc3c2c(C(C)C)nn3-c2ccc(F)cc2)CC1.
What is the InChIKey of 4-[(1-acetylpiperidin-4-yl)methoxy]-1-(4-fluorophenyl)-5-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The InChIKey is ICRBSYSKWUCITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O4/c1-14(2)21-20-23(34-13-17-9-11-29(12-10-17)16(4)31)15(3)22(25(32)33)27-24(20)30(28-21)19-7-5-18(26)6-8-19/h5-8,14,17H,9-13H2,1-4H3,(H,32,33).
What are the key properties of 4-[(1-acetylpiperidin-4-yl)methoxy]-1-(4-fluorophenyl)-5-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
4-[(1-acetylpiperidin-4-yl)methoxy]-1-(4-fluorophenyl)-5-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid has a molecular weight of 468.53 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-acetylpiperidin-4-yl)methoxy]-1-(4-fluorophenyl)-5-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 126753589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).