methyl 4-[4-(5-acetyl-4-amino-2-fluorophenyl)-3-amino-[1,2]oxazolo[4,5-c]pyridin-7-yl]pyrazole-1-carboxylate

C19H15FN6O4 — CID 156761906

IUPACmethyl 4-[4-(5-acetyl-4-amino-2-fluorophenyl)-3-amino-[1,2]oxazolo[4,5-c]pyridin-7-yl]pyrazole-1-carboxylate
SMILESCOC(=O)n1cc(-c2cnc(-c3cc(C(C)=O)c(N)cc3F)c3c(N)noc23)cn1
InChIInChI=1S/C19H15FN6O4/c1-8(27)10-3-11(13(20)4-14(10)21)16-15-17(30-25-18(15)22)12(6-23-16)9-5-24-26(7-9)19(28)29-2/h3-7H,21H2,1-2H3,(H2,22,25)
InChIKeySJXTZINZZCIRAE-UHFFFAOYSA-N
MW410.37 g/mol
LogP2.87
Rot. Bonds3

About methyl 4-[4-(5-acetyl-4-amino-2-fluorophenyl)-3-amino-[1,2]oxazolo[4,5-c]pyridin-7-yl]pyrazole-1-carboxylate

methyl 4-[4-(5-acetyl-4-amino-2-fluorophenyl)-3-amino-[1,2]oxazolo[4,5-c]pyridin-7-yl]pyrazole-1-carboxylate (PubChem CID 156761906) has the molecular formula C19H15FN6O4 and a molecular weight of 410.37 g/mol. Its IUPAC name is methyl 4-[4-(5-acetyl-4-amino-2-fluorophenyl)-3-amino-[1,2]oxazolo[4,5-c]pyridin-7-yl]pyrazole-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[4-(5-acetyl-4-amino-2-fluorophenyl)-3-amino-[1,2]oxazolo[4,5-c]pyridin-7-yl]pyrazole-1-carboxylate
PubChem CID156761906
Molecular FormulaC19H15FN6O4
Molecular Weight410.37 g/mol
Exact Mass410.11
IUPAC Namemethyl 4-[4-(5-acetyl-4-amino-2-fluorophenyl)-3-amino-[1,2]oxazolo[4,5-c]pyridin-7-yl]pyrazole-1-carboxylate
SMILESCOC(=O)n1cc(-c2cnc(-c3cc(C(C)=O)c(N)cc3F)c3c(N)noc23)cn1
InChIInChI=1S/C19H15FN6O4/c1-8(27)10-3-11(13(20)4-14(10)21)16-15-17(30-25-18(15)22)12(6-23-16)9-5-24-26(7-9)19(28)29-2/h3-7H,21H2,1-2H3,(H2,22,25)
InChIKeySJXTZINZZCIRAE-UHFFFAOYSA-N
XLogP2.87
TPSA152.15 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.37
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(1,2-benzoxazol-3-ylmethyl)pyrazole-4-carboxamide
CID 66723614
(E)-3-[4-(1-cyclopropylpyrazol-4-yl)-3-pyridinyl]-N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-fluorophenyl]prop-2-enamide
CID 126568790
3-(4-fluorophenyl)-6-methyl-N-[2-methyl-3-(5-methyl-1H-pyrazol-1-yl)propyl][1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44821360
N-[1-(1-ethyl-5-methyl-1H-pyrazol-4-yl)ethyl]-6-(4-fluorophenyl)-3-methyl[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44821716
N-[1-(1,3-dimethyl-1H-pyrazol-4-yl)ethyl]-6-(4-fluorophenyl)-3-methyl[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44821728
N-[1-(1,3-dimethyl-1H-pyrazol-4-yl)propan-2-yl]-6-(4-fluorophenyl)-3-methyl[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44821758
6-(4-fluorophenyl)-3-methyl-N-[1-(1H-pyrazol-1-yl)propan-2-yl][1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44821795
N-[1-(1-ethyl-3-methyl-1H-pyrazol-4-yl)ethyl]-6-(4-fluorophenyl)-3-methyl[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44821823
N-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-6-(4-fluorophenyl)-3-methyl[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44821945
6-(4-fluorophenyl)-3-methyl-N-(1-propyl-1H-pyrazol-3-yl)[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44821966
6-(4-fluorophenyl)-3-methyl-N-[1-(3-methyl-1H-pyrazol-1-yl)propan-2-yl][1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44821971
N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-6-(4-fluorophenyl)-3-methyl[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44821979

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-(5-acetyl-4-amino-2-fluorophenyl)-3-amino-[1,2]oxazolo[4,5-c]pyridin-7-yl]pyrazole-1-carboxylate?
The IUPAC name of methyl 4-[4-(5-acetyl-4-amino-2-fluorophenyl)-3-amino-[1,2]oxazolo[4,5-c]pyridin-7-yl]pyrazole-1-carboxylate (CID 156761906) is methyl 4-[4-(5-acetyl-4-amino-2-fluorophenyl)-3-amino-[1,2]oxazolo[4,5-c]pyridin-7-yl]pyrazole-1-carboxylate.
What is the SMILES notation for methyl 4-[4-(5-acetyl-4-amino-2-fluorophenyl)-3-amino-[1,2]oxazolo[4,5-c]pyridin-7-yl]pyrazole-1-carboxylate?
The canonical SMILES for methyl 4-[4-(5-acetyl-4-amino-2-fluorophenyl)-3-amino-[1,2]oxazolo[4,5-c]pyridin-7-yl]pyrazole-1-carboxylate is COC(=O)n1cc(-c2cnc(-c3cc(C(C)=O)c(N)cc3F)c3c(N)noc23)cn1.
What is the InChIKey of methyl 4-[4-(5-acetyl-4-amino-2-fluorophenyl)-3-amino-[1,2]oxazolo[4,5-c]pyridin-7-yl]pyrazole-1-carboxylate?
The InChIKey is SJXTZINZZCIRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN6O4/c1-8(27)10-3-11(13(20)4-14(10)21)16-15-17(30-25-18(15)22)12(6-23-16)9-5-24-26(7-9)19(28)29-2/h3-7H,21H2,1-2H3,(H2,22,25).
What are the key properties of methyl 4-[4-(5-acetyl-4-amino-2-fluorophenyl)-3-amino-[1,2]oxazolo[4,5-c]pyridin-7-yl]pyrazole-1-carboxylate?
methyl 4-[4-(5-acetyl-4-amino-2-fluorophenyl)-3-amino-[1,2]oxazolo[4,5-c]pyridin-7-yl]pyrazole-1-carboxylate has a molecular weight of 410.37 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-(5-acetyl-4-amino-2-fluorophenyl)-3-amino-[1,2]oxazolo[4,5-c]pyridin-7-yl]pyrazole-1-carboxylate is sourced from PubChem (CID 156761906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).