methyl 2-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-oxazole-4-carboxylate

C21H18FN5O4 — CID 66727282

IUPACmethyl 2-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-oxazole-4-carboxylate
SMILESCC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1nc(C(=O)OC)co1
InChIInChI=1S/C21H18FN5O4/c1-3-16(20-26-17(11-31-20)21(29)30-2)25-19(28)15-8-23-10-18-14(15)9-24-27(18)13-6-4-12(22)5-7-13/h4-11,16H,3H2,1-2H3,(H,25,28)/t16-/m0/s1
InChIKeyCHWGIWHLJMKZCT-INIZCTEOSA-N
MW423.40 g/mol
LogP3.22
Rot. Bonds6

About methyl 2-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-oxazole-4-carboxylate

methyl 2-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-oxazole-4-carboxylate (PubChem CID 66727282) has the molecular formula C21H18FN5O4 and a molecular weight of 423.40 g/mol. Its IUPAC name is methyl 2-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-oxazole-4-carboxylate
PubChem CID66727282
Molecular FormulaC21H18FN5O4
Molecular Weight423.40 g/mol
Exact Mass423.13
IUPAC Namemethyl 2-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-oxazole-4-carboxylate
SMILESCC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1nc(C(=O)OC)co1
InChIInChI=1S/C21H18FN5O4/c1-3-16(20-26-17(11-31-20)21(29)30-2)25-19(28)15-8-23-10-18-14(15)9-24-27(18)13-6-4-12(22)5-7-13/h4-11,16H,3H2,1-2H3,(H,25,28)/t16-/m0/s1
InChIKeyCHWGIWHLJMKZCT-INIZCTEOSA-N
XLogP3.22
TPSA112.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 2-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-oxazole-4-carboxylate (CID 66727282) is methyl 2-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 2-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 2-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-oxazole-4-carboxylate is CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1nc(C(=O)OC)co1.
What is the InChIKey of methyl 2-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-oxazole-4-carboxylate?
The InChIKey is CHWGIWHLJMKZCT-INIZCTEOSA-N. The full InChI is InChI=1S/C21H18FN5O4/c1-3-16(20-26-17(11-31-20)21(29)30-2)25-19(28)15-8-23-10-18-14(15)9-24-27(18)13-6-4-12(22)5-7-13/h4-11,16H,3H2,1-2H3,(H,25,28)/t16-/m0/s1.
What are the key properties of methyl 2-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-oxazole-4-carboxylate?
methyl 2-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-oxazole-4-carboxylate has a molecular weight of 423.40 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 66727282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).