methyl 1-(4-fluorophenyl)-4-piperidin-4-yl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;hydrochloride

C22H26ClFN4O2 — CID 126753168

IUPACmethyl 1-(4-fluorophenyl)-4-piperidin-4-yl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;hydrochloride
SMILESCOC(=O)c1cc(C2CCNCC2)c2c(C(C)C)nn(-c3ccc(F)cc3)c2n1.Cl
InChIInChI=1S/C22H25FN4O2.ClH/c1-13(2)20-19-17(14-8-10-24-11-9-14)12-18(22(28)29-3)25-21(19)27(26-20)16-6-4-15(23)5-7-16;/h4-7,12-14,24H,8-11H2,1-3H3;1H
InChIKeyFACNEYNLUQONKE-UHFFFAOYSA-N
MW432.93 g/mol
LogP4.36
Rot. Bonds4

About methyl 1-(4-fluorophenyl)-4-piperidin-4-yl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;hydrochloride

methyl 1-(4-fluorophenyl)-4-piperidin-4-yl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;hydrochloride (PubChem CID 126753168) has the molecular formula C22H26ClFN4O2 and a molecular weight of 432.93 g/mol. Its IUPAC name is methyl 1-(4-fluorophenyl)-4-piperidin-4-yl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 1-(4-fluorophenyl)-4-piperidin-4-yl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;hydrochloride
PubChem CID126753168
Molecular FormulaC22H26ClFN4O2
Molecular Weight432.93 g/mol
Exact Mass432.17
IUPAC Namemethyl 1-(4-fluorophenyl)-4-piperidin-4-yl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;hydrochloride
SMILESCOC(=O)c1cc(C2CCNCC2)c2c(C(C)C)nn(-c3ccc(F)cc3)c2n1.Cl
InChIInChI=1S/C22H25FN4O2.ClH/c1-13(2)20-19-17(14-8-10-24-11-9-14)12-18(22(28)29-3)25-21(19)27(26-20)16-6-4-15(23)5-7-16;/h4-7,12-14,24H,8-11H2,1-3H3;1H
InChIKeyFACNEYNLUQONKE-UHFFFAOYSA-N
XLogP4.36
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.93
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 1-(4-fluorophenyl)-4-piperidin-4-yl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;hydrochloride with MolForge

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Related Compounds

methyl 1-(4-fluorophenyl)-4-(oxane-4-carbonylamino)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126743252
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
methyl 3-cyclobutyl-4-(3,9-diazaspiro[5.5]undecan-3-yl)-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate
CID 126741626
methyl 3-cyclobutyl-1-(4-fluorophenyl)-4-(4-piperazin-1-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxylate;molecular hydrogen
CID 145290351
1-(4-fluorophenyl)-4-(oxan-4-ylmethoxy)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742566
6-cyclopropyl-4-(difluoromethyl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine
CID 44823468
methyl 6-cyclopropyl-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 19616678
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-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxy]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126741447
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
methyl 3-cyclobutyl-1-(4-fluorophenyl)-4-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylate
CID 126741878

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-fluorophenyl)-4-piperidin-4-yl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;hydrochloride?
The IUPAC name of methyl 1-(4-fluorophenyl)-4-piperidin-4-yl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;hydrochloride (CID 126753168) is methyl 1-(4-fluorophenyl)-4-piperidin-4-yl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;hydrochloride.
What is the SMILES notation for methyl 1-(4-fluorophenyl)-4-piperidin-4-yl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;hydrochloride?
The canonical SMILES for methyl 1-(4-fluorophenyl)-4-piperidin-4-yl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;hydrochloride is COC(=O)c1cc(C2CCNCC2)c2c(C(C)C)nn(-c3ccc(F)cc3)c2n1.Cl.
What is the InChIKey of methyl 1-(4-fluorophenyl)-4-piperidin-4-yl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;hydrochloride?
The InChIKey is FACNEYNLUQONKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O2.ClH/c1-13(2)20-19-17(14-8-10-24-11-9-14)12-18(22(28)29-3)25-21(19)27(26-20)16-6-4-15(23)5-7-16;/h4-7,12-14,24H,8-11H2,1-3H3;1H.
What are the key properties of methyl 1-(4-fluorophenyl)-4-piperidin-4-yl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;hydrochloride?
methyl 1-(4-fluorophenyl)-4-piperidin-4-yl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;hydrochloride has a molecular weight of 432.93 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-fluorophenyl)-4-piperidin-4-yl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;hydrochloride is sourced from PubChem (CID 126753168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).