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

C22H18FN5O3 — CID 146592241

IUPAC7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(1,3-oxazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCNC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3cccc(-c4ncco4)c3F)cc12
InChIInChI=1S/C22H18FN5O3/c1-24-21(30)15-10-26-19(28-20(29)11-5-6-11)18-14(15)9-16(27-18)12-3-2-4-13(17(12)23)22-25-7-8-31-22/h2-4,7-11,27H,5-6H2,1H3,(H,24,30)(H,26,28,29)
InChIKeyXQNIADISWWFXKF-UHFFFAOYSA-N
MW419.42 g/mol
LogP3.73
Rot. Bonds5

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

7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(1,3-oxazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (PubChem CID 146592241) has the molecular formula C22H18FN5O3 and a molecular weight of 419.42 g/mol. Its IUPAC name is 7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(1,3-oxazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(1,3-oxazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
PubChem CID146592241
Molecular FormulaC22H18FN5O3
Molecular Weight419.42 g/mol
Exact Mass419.14
IUPAC Name7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(1,3-oxazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCNC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3cccc(-c4ncco4)c3F)cc12
InChIInChI=1S/C22H18FN5O3/c1-24-21(30)15-10-26-19(28-20(29)11-5-6-11)18-14(15)9-16(27-18)12-3-2-4-13(17(12)23)22-25-7-8-31-22/h2-4,7-11,27H,5-6H2,1H3,(H,24,30)(H,26,28,29)
InChIKeyXQNIADISWWFXKF-UHFFFAOYSA-N
XLogP3.73
TPSA112.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.42
LogP ≤ 53.73
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-3-(1,3-oxazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The IUPAC name of 7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(1,3-oxazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (CID 146592241) is 7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(1,3-oxazol-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-(1,3-oxazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The canonical SMILES for 7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(1,3-oxazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is CNC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3cccc(-c4ncco4)c3F)cc12.
What is the InChIKey of 7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(1,3-oxazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The InChIKey is XQNIADISWWFXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O3/c1-24-21(30)15-10-26-19(28-20(29)11-5-6-11)18-14(15)9-16(27-18)12-3-2-4-13(17(12)23)22-25-7-8-31-22/h2-4,7-11,27H,5-6H2,1H3,(H,24,30)(H,26,28,29).
What are the key properties of 7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(1,3-oxazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(1,3-oxazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide has a molecular weight of 419.42 g/mol, XLogP of 3.73, 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-3-(1,3-oxazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 146592241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).