methyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoate

C24H19FN4O3 — CID 52916888

IUPACmethyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoate
SMILESCOC(=O)c1cccc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C24H19FN4O3/c1-32-23(31)15-3-2-4-16(11-15)24(9-10-24)28-22(30)20-12-26-14-21-19(20)13-27-29(21)18-7-5-17(25)6-8-18/h2-8,11-14H,9-10H2,1H3,(H,28,30)
InChIKeyMQSDRQISYVJADR-UHFFFAOYSA-N
MW430.44 g/mol
LogP3.77
Rot. Bonds5

About methyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoate

methyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoate (PubChem CID 52916888) has the molecular formula C24H19FN4O3 and a molecular weight of 430.44 g/mol. Its IUPAC name is methyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoate
PubChem CID52916888
Molecular FormulaC24H19FN4O3
Molecular Weight430.44 g/mol
Exact Mass430.14
IUPAC Namemethyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoate
SMILESCOC(=O)c1cccc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C24H19FN4O3/c1-32-23(31)15-3-2-4-16(11-15)24(9-10-24)28-22(30)20-12-26-14-21-19(20)13-27-29(21)18-7-5-17(25)6-8-18/h2-8,11-14H,9-10H2,1H3,(H,28,30)
InChIKeyMQSDRQISYVJADR-UHFFFAOYSA-N
XLogP3.77
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoate?
The IUPAC name of methyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoate (CID 52916888) is methyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoate.
What is the SMILES notation for methyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoate?
The canonical SMILES for methyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoate is COC(=O)c1cccc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CC2)c1.
What is the InChIKey of methyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoate?
The InChIKey is MQSDRQISYVJADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O3/c1-32-23(31)15-3-2-4-16(11-15)24(9-10-24)28-22(30)20-12-26-14-21-19(20)13-27-29(21)18-7-5-17(25)6-8-18/h2-8,11-14H,9-10H2,1H3,(H,28,30).
What are the key properties of methyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoate?
methyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoate has a molecular weight of 430.44 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoate is sourced from PubChem (CID 52916888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).