7-(cyclopropanecarbonylamino)-2-[2-fluoro-4-(5-methyl-1,2,4-triazol-1-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

C22H20FN7O2 — CID 146592230

IUPAC7-(cyclopropanecarbonylamino)-2-[2-fluoro-4-(5-methyl-1,2,4-triazol-1-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCNC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3ccc(-n4ncnc4C)cc3F)cc12
InChIInChI=1S/C22H20FN7O2/c1-11-26-10-27-30(11)13-5-6-14(17(23)7-13)18-8-15-16(22(32)24-2)9-25-20(19(15)28-18)29-21(31)12-3-4-12/h5-10,12,28H,3-4H2,1-2H3,(H,24,32)(H,25,29,31)
InChIKeyIQBAHWXTRPOIIY-UHFFFAOYSA-N
MW433.45 g/mol
LogP2.97
Rot. Bonds5

About 7-(cyclopropanecarbonylamino)-2-[2-fluoro-4-(5-methyl-1,2,4-triazol-1-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

7-(cyclopropanecarbonylamino)-2-[2-fluoro-4-(5-methyl-1,2,4-triazol-1-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (PubChem CID 146592230) has the molecular formula C22H20FN7O2 and a molecular weight of 433.45 g/mol. Its IUPAC name is 7-(cyclopropanecarbonylamino)-2-[2-fluoro-4-(5-methyl-1,2,4-triazol-1-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name7-(cyclopropanecarbonylamino)-2-[2-fluoro-4-(5-methyl-1,2,4-triazol-1-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
PubChem CID146592230
Molecular FormulaC22H20FN7O2
Molecular Weight433.45 g/mol
Exact Mass433.17
IUPAC Name7-(cyclopropanecarbonylamino)-2-[2-fluoro-4-(5-methyl-1,2,4-triazol-1-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCNC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3ccc(-n4ncnc4C)cc3F)cc12
InChIInChI=1S/C22H20FN7O2/c1-11-26-10-27-30(11)13-5-6-14(17(23)7-13)18-8-15-16(22(32)24-2)9-25-20(19(15)28-18)29-21(31)12-3-4-12/h5-10,12,28H,3-4H2,1-2H3,(H,24,32)(H,25,29,31)
InChIKeyIQBAHWXTRPOIIY-UHFFFAOYSA-N
XLogP2.97
TPSA117.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.45
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropanecarbonylamino)-2-[2-fluoro-4-(5-methyl-1,2,4-triazol-1-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The IUPAC name of 7-(cyclopropanecarbonylamino)-2-[2-fluoro-4-(5-methyl-1,2,4-triazol-1-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (CID 146592230) is 7-(cyclopropanecarbonylamino)-2-[2-fluoro-4-(5-methyl-1,2,4-triazol-1-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.
What is the SMILES notation for 7-(cyclopropanecarbonylamino)-2-[2-fluoro-4-(5-methyl-1,2,4-triazol-1-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The canonical SMILES for 7-(cyclopropanecarbonylamino)-2-[2-fluoro-4-(5-methyl-1,2,4-triazol-1-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is CNC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3ccc(-n4ncnc4C)cc3F)cc12.
What is the InChIKey of 7-(cyclopropanecarbonylamino)-2-[2-fluoro-4-(5-methyl-1,2,4-triazol-1-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The InChIKey is IQBAHWXTRPOIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN7O2/c1-11-26-10-27-30(11)13-5-6-14(17(23)7-13)18-8-15-16(22(32)24-2)9-25-20(19(15)28-18)29-21(31)12-3-4-12/h5-10,12,28H,3-4H2,1-2H3,(H,24,32)(H,25,29,31).
What are the key properties of 7-(cyclopropanecarbonylamino)-2-[2-fluoro-4-(5-methyl-1,2,4-triazol-1-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
7-(cyclopropanecarbonylamino)-2-[2-fluoro-4-(5-methyl-1,2,4-triazol-1-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide has a molecular weight of 433.45 g/mol, XLogP of 2.97, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropanecarbonylamino)-2-[2-fluoro-4-(5-methyl-1,2,4-triazol-1-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 146592230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).