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

C23H23FN4O3 — CID 146592192

IUPAC7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(oxolan-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCNC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3cccc(C4CCCO4)c3F)cc12
InChIInChI=1S/C23H23FN4O3/c1-25-23(30)16-11-26-21(28-22(29)12-7-8-12)20-15(16)10-17(27-20)13-4-2-5-14(19(13)24)18-6-3-9-31-18/h2,4-5,10-12,18,27H,3,6-9H2,1H3,(H,25,30)(H,26,28,29)
InChIKeyXEUKRZDNHIBKIF-UHFFFAOYSA-N
MW422.46 g/mol
LogP3.93
Rot. Bonds5

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

7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(oxolan-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (PubChem CID 146592192) has the molecular formula C23H23FN4O3 and a molecular weight of 422.46 g/mol. Its IUPAC name is 7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(oxolan-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(oxolan-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
PubChem CID146592192
Molecular FormulaC23H23FN4O3
Molecular Weight422.46 g/mol
Exact Mass422.18
IUPAC Name7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(oxolan-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCNC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3cccc(C4CCCO4)c3F)cc12
InChIInChI=1S/C23H23FN4O3/c1-25-23(30)16-11-26-21(28-22(29)12-7-8-12)20-15(16)10-17(27-20)13-4-2-5-14(19(13)24)18-6-3-9-31-18/h2,4-5,10-12,18,27H,3,6-9H2,1H3,(H,25,30)(H,26,28,29)
InChIKeyXEUKRZDNHIBKIF-UHFFFAOYSA-N
XLogP3.93
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(oxolan-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The IUPAC name of 7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(oxolan-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (CID 146592192) is 7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(oxolan-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.
What is the SMILES notation for 7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(oxolan-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The canonical SMILES for 7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(oxolan-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is CNC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3cccc(C4CCCO4)c3F)cc12.
What is the InChIKey of 7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(oxolan-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The InChIKey is XEUKRZDNHIBKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O3/c1-25-23(30)16-11-26-21(28-22(29)12-7-8-12)20-15(16)10-17(27-20)13-4-2-5-14(19(13)24)18-6-3-9-31-18/h2,4-5,10-12,18,27H,3,6-9H2,1H3,(H,25,30)(H,26,28,29).
What are the key properties of 7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(oxolan-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(oxolan-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide has a molecular weight of 422.46 g/mol, XLogP of 3.93, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(oxolan-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 146592192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).