7-(cyclopropanecarbonylamino)-2-(2-fluoro-4-pyrazin-2-ylphenyl)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

C23H19FN6O2 — CID 146592196

IUPAC7-(cyclopropanecarbonylamino)-2-(2-fluoro-4-pyrazin-2-ylphenyl)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCNC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3ccc(-c4cnccn4)cc3F)cc12
InChIInChI=1S/C23H19FN6O2/c1-25-23(32)16-10-28-21(30-22(31)12-2-3-12)20-15(16)9-18(29-20)14-5-4-13(8-17(14)24)19-11-26-6-7-27-19/h4-12,29H,2-3H2,1H3,(H,25,32)(H,28,30,31)
InChIKeyUDSXAMYANJCWNU-UHFFFAOYSA-N
MW430.44 g/mol
LogP3.53
Rot. Bonds5

About 7-(cyclopropanecarbonylamino)-2-(2-fluoro-4-pyrazin-2-ylphenyl)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

7-(cyclopropanecarbonylamino)-2-(2-fluoro-4-pyrazin-2-ylphenyl)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (PubChem CID 146592196) has the molecular formula C23H19FN6O2 and a molecular weight of 430.44 g/mol. Its IUPAC name is 7-(cyclopropanecarbonylamino)-2-(2-fluoro-4-pyrazin-2-ylphenyl)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name7-(cyclopropanecarbonylamino)-2-(2-fluoro-4-pyrazin-2-ylphenyl)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
PubChem CID146592196
Molecular FormulaC23H19FN6O2
Molecular Weight430.44 g/mol
Exact Mass430.16
IUPAC Name7-(cyclopropanecarbonylamino)-2-(2-fluoro-4-pyrazin-2-ylphenyl)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCNC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3ccc(-c4cnccn4)cc3F)cc12
InChIInChI=1S/C23H19FN6O2/c1-25-23(32)16-10-28-21(30-22(31)12-2-3-12)20-15(16)9-18(29-20)14-5-4-13(8-17(14)24)19-11-26-6-7-27-19/h4-12,29H,2-3H2,1H3,(H,25,32)(H,28,30,31)
InChIKeyUDSXAMYANJCWNU-UHFFFAOYSA-N
XLogP3.53
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropanecarbonylamino)-2-(2-fluoro-4-pyrazin-2-ylphenyl)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The IUPAC name of 7-(cyclopropanecarbonylamino)-2-(2-fluoro-4-pyrazin-2-ylphenyl)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (CID 146592196) is 7-(cyclopropanecarbonylamino)-2-(2-fluoro-4-pyrazin-2-ylphenyl)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.
What is the SMILES notation for 7-(cyclopropanecarbonylamino)-2-(2-fluoro-4-pyrazin-2-ylphenyl)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The canonical SMILES for 7-(cyclopropanecarbonylamino)-2-(2-fluoro-4-pyrazin-2-ylphenyl)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is CNC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3ccc(-c4cnccn4)cc3F)cc12.
What is the InChIKey of 7-(cyclopropanecarbonylamino)-2-(2-fluoro-4-pyrazin-2-ylphenyl)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The InChIKey is UDSXAMYANJCWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN6O2/c1-25-23(32)16-10-28-21(30-22(31)12-2-3-12)20-15(16)9-18(29-20)14-5-4-13(8-17(14)24)19-11-26-6-7-27-19/h4-12,29H,2-3H2,1H3,(H,25,32)(H,28,30,31).
What are the key properties of 7-(cyclopropanecarbonylamino)-2-(2-fluoro-4-pyrazin-2-ylphenyl)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
7-(cyclopropanecarbonylamino)-2-(2-fluoro-4-pyrazin-2-ylphenyl)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide has a molecular weight of 430.44 g/mol, XLogP of 3.53, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropanecarbonylamino)-2-(2-fluoro-4-pyrazin-2-ylphenyl)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 146592196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).