3-cyclobutyl-4-[4-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]piperidin-1-yl]-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid

C27H32FN5O2 — CID 126743910

IUPAC3-cyclobutyl-4-[4-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]piperidin-1-yl]-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cc(N2CCC(CN3CC[C@H](F)C3)CC2)c2c(C3CCC3)nn(-c3ccccc3)c2n1
InChIInChI=1S/C27H32FN5O2/c28-20-11-12-31(17-20)16-18-9-13-32(14-10-18)23-15-22(27(34)35)29-26-24(23)25(19-5-4-6-19)30-33(26)21-7-2-1-3-8-21/h1-3,7-8,15,18-20H,4-6,9-14,16-17H2,(H,34,35)/t20-/m0/s1
InChIKeySOPQYQXYSSXICT-FQEVSTJZSA-N
MW477.58 g/mol
LogP4.65
Rot. Bonds6

About 3-cyclobutyl-4-[4-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]piperidin-1-yl]-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid

3-cyclobutyl-4-[4-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]piperidin-1-yl]-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid (PubChem CID 126743910) has the molecular formula C27H32FN5O2 and a molecular weight of 477.58 g/mol. Its IUPAC name is 3-cyclobutyl-4-[4-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]piperidin-1-yl]-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-cyclobutyl-4-[4-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]piperidin-1-yl]-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
PubChem CID126743910
Molecular FormulaC27H32FN5O2
Molecular Weight477.58 g/mol
Exact Mass477.25
IUPAC Name3-cyclobutyl-4-[4-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]piperidin-1-yl]-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cc(N2CCC(CN3CC[C@H](F)C3)CC2)c2c(C3CCC3)nn(-c3ccccc3)c2n1
InChIInChI=1S/C27H32FN5O2/c28-20-11-12-31(17-20)16-18-9-13-32(14-10-18)23-15-22(27(34)35)29-26-24(23)25(19-5-4-6-19)30-33(26)21-7-2-1-3-8-21/h1-3,7-8,15,18-20H,4-6,9-14,16-17H2,(H,34,35)/t20-/m0/s1
InChIKeySOPQYQXYSSXICT-FQEVSTJZSA-N
XLogP4.65
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.58
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-cyclobutyl-4-[4-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]piperidin-1-yl]-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid with MolForge

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Related Compounds

3-cyclobutyl-4-[4-[(3-methoxyazetidin-1-yl)methyl]piperidin-1-yl]-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743231
3-cyclobutyl-4-[4-[[3-(2,2-difluoroethoxy)azetidin-1-yl]methyl]piperidin-1-yl]-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743873
methyl 3-cyclobutyl-1-phenyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylate
CID 126741740
3-cyclobutyl-4-[4-(2-oxa-7-azaspiro[3.4]octan-7-ylmethyl)piperidin-1-yl]-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742975
3-cyclobutyl-4-(4-formylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743494
3-cyclobutyl-4-[4-(4-cyclopropylpiperazin-1-yl)piperidin-1-yl]-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126741573
3-cyclobutyl-4-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743859
3-cyclobutyl-1-(4-fluorophenyl)-4-[4-(4-fluoropiperidin-1-yl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742473
3-cyclobutyl-4-[4-(3-methoxypropyl)piperazin-1-yl]-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743177
3-cyclobutyl-4-(3-morpholin-4-ylazetidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743622
methyl 3-cyclobutyl-1-phenyl-4-piperidin-1-ylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126741500
3-cyclobutyl-4-[4-(2-methylpropoxycarbonyl)piperazin-1-yl]-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743605

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-4-[4-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]piperidin-1-yl]-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The IUPAC name of 3-cyclobutyl-4-[4-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]piperidin-1-yl]-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid (CID 126743910) is 3-cyclobutyl-4-[4-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]piperidin-1-yl]-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-cyclobutyl-4-[4-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]piperidin-1-yl]-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The canonical SMILES for 3-cyclobutyl-4-[4-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]piperidin-1-yl]-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid is O=C(O)c1cc(N2CCC(CN3CC[C@H](F)C3)CC2)c2c(C3CCC3)nn(-c3ccccc3)c2n1.
What is the InChIKey of 3-cyclobutyl-4-[4-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]piperidin-1-yl]-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The InChIKey is SOPQYQXYSSXICT-FQEVSTJZSA-N. The full InChI is InChI=1S/C27H32FN5O2/c28-20-11-12-31(17-20)16-18-9-13-32(14-10-18)23-15-22(27(34)35)29-26-24(23)25(19-5-4-6-19)30-33(26)21-7-2-1-3-8-21/h1-3,7-8,15,18-20H,4-6,9-14,16-17H2,(H,34,35)/t20-/m0/s1.
What are the key properties of 3-cyclobutyl-4-[4-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]piperidin-1-yl]-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
3-cyclobutyl-4-[4-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]piperidin-1-yl]-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid has a molecular weight of 477.58 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-4-[4-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]piperidin-1-yl]-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 126743910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).