methyl 2-[[3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoyl]amino]acetate

C26H22FN5O4 — CID 52916969

IUPACmethyl 2-[[3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1cccc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C26H22FN5O4/c1-36-23(33)15-29-24(34)16-3-2-4-17(11-16)26(9-10-26)31-25(35)21-12-28-14-22-20(21)13-30-32(22)19-7-5-18(27)6-8-19/h2-8,11-14H,9-10,15H2,1H3,(H,29,34)(H,31,35)
InChIKeyVDQUKAXESVNFRY-UHFFFAOYSA-N
MW487.49 g/mol
LogP2.88
Rot. Bonds7

About methyl 2-[[3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoyl]amino]acetate

methyl 2-[[3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoyl]amino]acetate (PubChem CID 52916969) has the molecular formula C26H22FN5O4 and a molecular weight of 487.49 g/mol. Its IUPAC name is methyl 2-[[3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoyl]amino]acetate
PubChem CID52916969
Molecular FormulaC26H22FN5O4
Molecular Weight487.49 g/mol
Exact Mass487.17
IUPAC Namemethyl 2-[[3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1cccc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C26H22FN5O4/c1-36-23(33)15-29-24(34)16-3-2-4-17(11-16)26(9-10-26)31-25(35)21-12-28-14-22-20(21)13-30-32(22)19-7-5-18(27)6-8-19/h2-8,11-14H,9-10,15H2,1H3,(H,29,34)(H,31,35)
InChIKeyVDQUKAXESVNFRY-UHFFFAOYSA-N
XLogP2.88
TPSA115.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.49
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoyl]amino]acetate?
The IUPAC name of methyl 2-[[3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoyl]amino]acetate (CID 52916969) is methyl 2-[[3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoyl]amino]acetate?
The canonical SMILES for methyl 2-[[3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoyl]amino]acetate is COC(=O)CNC(=O)c1cccc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CC2)c1.
What is the InChIKey of methyl 2-[[3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoyl]amino]acetate?
The InChIKey is VDQUKAXESVNFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN5O4/c1-36-23(33)15-29-24(34)16-3-2-4-17(11-16)26(9-10-26)31-25(35)21-12-28-14-22-20(21)13-30-32(22)19-7-5-18(27)6-8-19/h2-8,11-14H,9-10,15H2,1H3,(H,29,34)(H,31,35).
What are the key properties of methyl 2-[[3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoyl]amino]acetate?
methyl 2-[[3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoyl]amino]acetate has a molecular weight of 487.49 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoyl]amino]acetate is sourced from PubChem (CID 52916969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).