methyl 2-[2-fluoro-3-(2-methyl-1,3-oxazol-5-yl)phenyl]-7-[(1-methylpyrazol-3-yl)amino]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate

C23H19FN6O3 — CID 146634412

IUPACmethyl 2-[2-fluoro-3-(2-methyl-1,3-oxazol-5-yl)phenyl]-7-[(1-methylpyrazol-3-yl)amino]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
SMILESCOC(=O)c1cnc(Nc2ccn(C)n2)c2[nH]c(-c3cccc(-c4cnc(C)o4)c3F)cc12
InChIInChI=1S/C23H19FN6O3/c1-12-25-11-18(33-12)14-6-4-5-13(20(14)24)17-9-15-16(23(31)32-3)10-26-22(21(15)27-17)28-19-7-8-30(2)29-19/h4-11,27H,1-3H3,(H,26,28,29)
InChIKeyZAMQTNFZCDYFBB-UHFFFAOYSA-N
MW446.44 g/mol
LogP4.60
Rot. Bonds5

About methyl 2-[2-fluoro-3-(2-methyl-1,3-oxazol-5-yl)phenyl]-7-[(1-methylpyrazol-3-yl)amino]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate

methyl 2-[2-fluoro-3-(2-methyl-1,3-oxazol-5-yl)phenyl]-7-[(1-methylpyrazol-3-yl)amino]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate (PubChem CID 146634412) has the molecular formula C23H19FN6O3 and a molecular weight of 446.44 g/mol. Its IUPAC name is methyl 2-[2-fluoro-3-(2-methyl-1,3-oxazol-5-yl)phenyl]-7-[(1-methylpyrazol-3-yl)amino]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-fluoro-3-(2-methyl-1,3-oxazol-5-yl)phenyl]-7-[(1-methylpyrazol-3-yl)amino]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
PubChem CID146634412
Molecular FormulaC23H19FN6O3
Molecular Weight446.44 g/mol
Exact Mass446.15
IUPAC Namemethyl 2-[2-fluoro-3-(2-methyl-1,3-oxazol-5-yl)phenyl]-7-[(1-methylpyrazol-3-yl)amino]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
SMILESCOC(=O)c1cnc(Nc2ccn(C)n2)c2[nH]c(-c3cccc(-c4cnc(C)o4)c3F)cc12
InChIInChI=1S/C23H19FN6O3/c1-12-25-11-18(33-12)14-6-4-5-13(20(14)24)17-9-15-16(23(31)32-3)10-26-22(21(15)27-17)28-19-7-8-30(2)29-19/h4-11,27H,1-3H3,(H,26,28,29)
InChIKeyZAMQTNFZCDYFBB-UHFFFAOYSA-N
XLogP4.60
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.44
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 2-[2-fluoro-3-(2-methyl-1,3-oxazol-5-yl)phenyl]-7-[(1-methylpyrazol-3-yl)amino]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-fluoro-3-(2-methyl-1,3-oxazol-5-yl)phenyl]-7-[(1-methylpyrazol-3-yl)amino]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?
The IUPAC name of methyl 2-[2-fluoro-3-(2-methyl-1,3-oxazol-5-yl)phenyl]-7-[(1-methylpyrazol-3-yl)amino]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate (CID 146634412) is methyl 2-[2-fluoro-3-(2-methyl-1,3-oxazol-5-yl)phenyl]-7-[(1-methylpyrazol-3-yl)amino]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-[2-fluoro-3-(2-methyl-1,3-oxazol-5-yl)phenyl]-7-[(1-methylpyrazol-3-yl)amino]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?
The canonical SMILES for methyl 2-[2-fluoro-3-(2-methyl-1,3-oxazol-5-yl)phenyl]-7-[(1-methylpyrazol-3-yl)amino]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate is COC(=O)c1cnc(Nc2ccn(C)n2)c2[nH]c(-c3cccc(-c4cnc(C)o4)c3F)cc12.
What is the InChIKey of methyl 2-[2-fluoro-3-(2-methyl-1,3-oxazol-5-yl)phenyl]-7-[(1-methylpyrazol-3-yl)amino]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?
The InChIKey is ZAMQTNFZCDYFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN6O3/c1-12-25-11-18(33-12)14-6-4-5-13(20(14)24)17-9-15-16(23(31)32-3)10-26-22(21(15)27-17)28-19-7-8-30(2)29-19/h4-11,27H,1-3H3,(H,26,28,29).
What are the key properties of methyl 2-[2-fluoro-3-(2-methyl-1,3-oxazol-5-yl)phenyl]-7-[(1-methylpyrazol-3-yl)amino]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?
methyl 2-[2-fluoro-3-(2-methyl-1,3-oxazol-5-yl)phenyl]-7-[(1-methylpyrazol-3-yl)amino]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate has a molecular weight of 446.44 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-fluoro-3-(2-methyl-1,3-oxazol-5-yl)phenyl]-7-[(1-methylpyrazol-3-yl)amino]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate is sourced from PubChem (CID 146634412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).