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

C23H20FN5O3 — CID 146634920

IUPACmethyl 7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3cccc(-c4cnn(C)c4)c3F)cc12
InChIInChI=1S/C23H20FN5O3/c1-29-11-13(9-26-29)14-4-3-5-15(19(14)24)18-8-16-17(23(31)32-2)10-25-21(20(16)27-18)28-22(30)12-6-7-12/h3-5,8-12,27H,6-7H2,1-2H3,(H,25,28,30)
InChIKeyMRDCOTXMWVKRNB-UHFFFAOYSA-N
MW433.44 g/mol
LogP3.90
Rot. Bonds5

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

methyl 7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate (PubChem CID 146634920) has the molecular formula C23H20FN5O3 and a molecular weight of 433.44 g/mol. Its IUPAC name is methyl 7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
PubChem CID146634920
Molecular FormulaC23H20FN5O3
Molecular Weight433.44 g/mol
Exact Mass433.16
IUPAC Namemethyl 7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3cccc(-c4cnn(C)c4)c3F)cc12
InChIInChI=1S/C23H20FN5O3/c1-29-11-13(9-26-29)14-4-3-5-15(19(14)24)18-8-16-17(23(31)32-2)10-25-21(20(16)27-18)28-22(30)12-6-7-12/h3-5,8-12,27H,6-7H2,1-2H3,(H,25,28,30)
InChIKeyMRDCOTXMWVKRNB-UHFFFAOYSA-N
XLogP3.90
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.44
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?
The IUPAC name of methyl 7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate (CID 146634920) is methyl 7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate.
What is the SMILES notation for methyl 7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?
The canonical SMILES for methyl 7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate is COC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3cccc(-c4cnn(C)c4)c3F)cc12.
What is the InChIKey of methyl 7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?
The InChIKey is MRDCOTXMWVKRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O3/c1-29-11-13(9-26-29)14-4-3-5-15(19(14)24)18-8-16-17(23(31)32-2)10-25-21(20(16)27-18)28-22(30)12-6-7-12/h3-5,8-12,27H,6-7H2,1-2H3,(H,25,28,30).
What are the key properties of methyl 7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?
methyl 7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate has a molecular weight of 433.44 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate is sourced from PubChem (CID 146634920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).