7-(cyclopropanecarbonylamino)-2-[2,6-difluoro-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

C23H20F2N6O2 — CID 146592208

IUPAC7-(cyclopropanecarbonylamino)-2-[2,6-difluoro-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCNC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3c(F)cc(-c4nccn4C)cc3F)cc12
InChIInChI=1S/C23H20F2N6O2/c1-26-23(33)14-10-28-20(30-22(32)11-3-4-11)19-13(14)9-17(29-19)18-15(24)7-12(8-16(18)25)21-27-5-6-31(21)2/h5-11,29H,3-4H2,1-2H3,(H,26,33)(H,28,30,32)
InChIKeyLKFIDGHDKPFTEL-UHFFFAOYSA-N
MW450.45 g/mol
LogP3.62
Rot. Bonds5

About 7-(cyclopropanecarbonylamino)-2-[2,6-difluoro-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

7-(cyclopropanecarbonylamino)-2-[2,6-difluoro-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (PubChem CID 146592208) has the molecular formula C23H20F2N6O2 and a molecular weight of 450.45 g/mol. Its IUPAC name is 7-(cyclopropanecarbonylamino)-2-[2,6-difluoro-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name7-(cyclopropanecarbonylamino)-2-[2,6-difluoro-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
PubChem CID146592208
Molecular FormulaC23H20F2N6O2
Molecular Weight450.45 g/mol
Exact Mass450.16
IUPAC Name7-(cyclopropanecarbonylamino)-2-[2,6-difluoro-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCNC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3c(F)cc(-c4nccn4C)cc3F)cc12
InChIInChI=1S/C23H20F2N6O2/c1-26-23(33)14-10-28-20(30-22(32)11-3-4-11)19-13(14)9-17(29-19)18-15(24)7-12(8-16(18)25)21-27-5-6-31(21)2/h5-11,29H,3-4H2,1-2H3,(H,26,33)(H,28,30,32)
InChIKeyLKFIDGHDKPFTEL-UHFFFAOYSA-N
XLogP3.62
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.45
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropanecarbonylamino)-2-[2,6-difluoro-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The IUPAC name of 7-(cyclopropanecarbonylamino)-2-[2,6-difluoro-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (CID 146592208) is 7-(cyclopropanecarbonylamino)-2-[2,6-difluoro-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.
What is the SMILES notation for 7-(cyclopropanecarbonylamino)-2-[2,6-difluoro-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The canonical SMILES for 7-(cyclopropanecarbonylamino)-2-[2,6-difluoro-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is CNC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3c(F)cc(-c4nccn4C)cc3F)cc12.
What is the InChIKey of 7-(cyclopropanecarbonylamino)-2-[2,6-difluoro-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The InChIKey is LKFIDGHDKPFTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N6O2/c1-26-23(33)14-10-28-20(30-22(32)11-3-4-11)19-13(14)9-17(29-19)18-15(24)7-12(8-16(18)25)21-27-5-6-31(21)2/h5-11,29H,3-4H2,1-2H3,(H,26,33)(H,28,30,32).
What are the key properties of 7-(cyclopropanecarbonylamino)-2-[2,6-difluoro-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
7-(cyclopropanecarbonylamino)-2-[2,6-difluoro-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide has a molecular weight of 450.45 g/mol, XLogP of 3.62, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropanecarbonylamino)-2-[2,6-difluoro-4-(1-methylimidazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 146592208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).