propan-2-yl 4-(4-morpholin-4-ylphenyl)-1-phenyl-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxylate

C29H32N4O4 — CID 126742388

IUPACpropan-2-yl 4-(4-morpholin-4-ylphenyl)-1-phenyl-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxylate
SMILESCC(C)OC(=O)c1cc(-c2ccc(N3CCOCC3)cc2)c2c(OC(C)C)nn(-c3ccccc3)c2n1
InChIInChI=1S/C29H32N4O4/c1-19(2)36-28-26-24(21-10-12-22(13-11-21)32-14-16-35-17-15-32)18-25(29(34)37-20(3)4)30-27(26)33(31-28)23-8-6-5-7-9-23/h5-13,18-20H,14-17H2,1-4H3
InChIKeyXYUCEJZKVDUGNI-UHFFFAOYSA-N
MW500.60 g/mol
LogP5.28
Rot. Bonds7

About propan-2-yl 4-(4-morpholin-4-ylphenyl)-1-phenyl-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxylate

propan-2-yl 4-(4-morpholin-4-ylphenyl)-1-phenyl-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxylate (PubChem CID 126742388) has the molecular formula C29H32N4O4 and a molecular weight of 500.60 g/mol. Its IUPAC name is propan-2-yl 4-(4-morpholin-4-ylphenyl)-1-phenyl-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-(4-morpholin-4-ylphenyl)-1-phenyl-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxylate
PubChem CID126742388
Molecular FormulaC29H32N4O4
Molecular Weight500.60 g/mol
Exact Mass500.24
IUPAC Namepropan-2-yl 4-(4-morpholin-4-ylphenyl)-1-phenyl-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxylate
SMILESCC(C)OC(=O)c1cc(-c2ccc(N3CCOCC3)cc2)c2c(OC(C)C)nn(-c3ccccc3)c2n1
InChIInChI=1S/C29H32N4O4/c1-19(2)36-28-26-24(21-10-12-22(13-11-21)32-14-16-35-17-15-32)18-25(29(34)37-20(3)4)30-27(26)33(31-28)23-8-6-5-7-9-23/h5-13,18-20H,14-17H2,1-4H3
InChIKeyXYUCEJZKVDUGNI-UHFFFAOYSA-N
XLogP5.28
TPSA78.71 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.60
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-cyclopropylsulfonyl-4-(4-morpholin-4-ylphenyl)-1-phenyl-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxamide
CID 126742636
3-(1-methylcyclobutyl)-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126741913
4-(4-morpholin-4-ylphenyl)-3-propan-2-yl-1-[4-(trifluoromethoxy)phenyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743803
4-(4-morpholin-4-ylphenyl)-3-(oxolan-2-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743537
1-(3-cyanophenyl)-4-(4-morpholin-4-ylphenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743328
ethyl 3-methyl-4-[4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)phenyl]-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126742813
3-[1-(cyanomethyl)azetidin-3-yl]-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743405
4-[4-(4-acetylpiperazin-1-yl)phenyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743323
4-(4-morpholin-4-ylphenyl)-1-(4-morpholin-4-yl-2-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743242
1-cyclohexyl-3-propan-2-yloxy-4-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742627
ethyl 3-methyl-4-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126742942
1-cyclohexyl-4-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742338

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-(4-morpholin-4-ylphenyl)-1-phenyl-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxylate?
The IUPAC name of propan-2-yl 4-(4-morpholin-4-ylphenyl)-1-phenyl-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxylate (CID 126742388) is propan-2-yl 4-(4-morpholin-4-ylphenyl)-1-phenyl-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxylate.
What is the SMILES notation for propan-2-yl 4-(4-morpholin-4-ylphenyl)-1-phenyl-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxylate?
The canonical SMILES for propan-2-yl 4-(4-morpholin-4-ylphenyl)-1-phenyl-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxylate is CC(C)OC(=O)c1cc(-c2ccc(N3CCOCC3)cc2)c2c(OC(C)C)nn(-c3ccccc3)c2n1.
What is the InChIKey of propan-2-yl 4-(4-morpholin-4-ylphenyl)-1-phenyl-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxylate?
The InChIKey is XYUCEJZKVDUGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O4/c1-19(2)36-28-26-24(21-10-12-22(13-11-21)32-14-16-35-17-15-32)18-25(29(34)37-20(3)4)30-27(26)33(31-28)23-8-6-5-7-9-23/h5-13,18-20H,14-17H2,1-4H3.
What are the key properties of propan-2-yl 4-(4-morpholin-4-ylphenyl)-1-phenyl-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxylate?
propan-2-yl 4-(4-morpholin-4-ylphenyl)-1-phenyl-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxylate has a molecular weight of 500.60 g/mol, XLogP of 5.28, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-(4-morpholin-4-ylphenyl)-1-phenyl-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxylate is sourced from PubChem (CID 126742388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).