N-(2-cyanopropan-2-yl)-6-[2-[1-(difluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-fluoropyridine-2-carboxamide;6-[2-[1-(difluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(1H-imidazol-2-yl)pyridine-2-carboxamide

C41H30F5N15O2 — CID 157389210

About N-(2-cyanopropan-2-yl)-6-[2-[1-(difluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-fluoropyridine-2-carboxamide;6-[2-[1-(difluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(1H-imidazol-2-yl)pyridine-2-carboxamide

N-(2-cyanopropan-2-yl)-6-[2-[1-(difluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-fluoropyridine-2-carboxamide;6-[2-[1-(difluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(1H-imidazol-2-yl)pyridine-2-carboxamide (PubChem CID 157389210) has the molecular formula C41H30F5N15O2 and a molecular weight of 859.78 g/mol. Its IUPAC name is N-(2-cyanopropan-2-yl)-6-[2-[1-(difluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-fluoropyridine-2-carboxamide;6-[2-[1-(difluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(1H-imidazol-2-yl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-(2-cyanopropan-2-yl)-6-[2-[1-(difluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-fluoropyridine-2-carboxamide;6-[2-[1-(difluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(1H-imidazol-2-yl)pyridine-2-carboxamide
• PubChem CID: 157389210
• Molecular Formula: C41H30F5N15O2
• Molecular Weight: 859.78 g/mol
• Exact Mass: 859.26
• IUPAC Name: N-(2-cyanopropan-2-yl)-6-[2-[1-(difluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-fluoropyridine-2-carboxamide;6-[2-[1-(difluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(1H-imidazol-2-yl)pyridine-2-carboxamide
• SMILES: CC(C)(C#N)NC(=O)c1cc(F)cc(-c2cnc3[nH]c(-c4cnn(C(F)F)c4)cc3c2)n1.O=C(Nc1ncc[nH]1)c1cccc(-c2cnc3[nH]c(-c4cnn(C(F)F)c4)cc3c2)n1
• InChI: InChI=1S/C21H16F3N7O.C20H14F2N8O/c1-21(2,10-25)30-19(32)17-6-14(22)5-16(28-17)12-3-11-4-15(29-18(11)26-7-12)13-8-27-31(9-13)20(23)24;21-19(22)30-10-13(9-26-30)16-7-11-6-12(8-25-17(11)28-16)14-2-1-3-15(27-14)18(31)29-20-23-4-5-24-20/h3-9,20H,1-2H3,(H,26,29)(H,30,32);1-10,19H,(H,25,28)(H2,23,24,29,31)
• InChIKey: BLUINTZXWCYUBP-UHFFFAOYSA-N
• XLogP: 7.91
• TPSA: 229.45 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	859.78
LogP ≤ 5	7.91
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropan-2-yl)-6-[2-[1-(difluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-fluoropyridine-2-carboxamide;6-[2-[1-(difluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(1H-imidazol-2-yl)pyridine-2-carboxamide?

The IUPAC name of N-(2-cyanopropan-2-yl)-6-[2-[1-(difluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-fluoropyridine-2-carboxamide;6-[2-[1-(difluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(1H-imidazol-2-yl)pyridine-2-carboxamide (CID 157389210) is N-(2-cyanopropan-2-yl)-6-[2-[1-(difluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-fluoropyridine-2-carboxamide;6-[2-[1-(difluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(1H-imidazol-2-yl)pyridine-2-carboxamide.

What is the SMILES notation for N-(2-cyanopropan-2-yl)-6-[2-[1-(difluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-fluoropyridine-2-carboxamide;6-[2-[1-(difluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(1H-imidazol-2-yl)pyridine-2-carboxamide?

The canonical SMILES for N-(2-cyanopropan-2-yl)-6-[2-[1-(difluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-fluoropyridine-2-carboxamide;6-[2-[1-(difluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(1H-imidazol-2-yl)pyridine-2-carboxamide is CC(C)(C#N)NC(=O)c1cc(F)cc(-c2cnc3[nH]c(-c4cnn(C(F)F)c4)cc3c2)n1.O=C(Nc1ncc[nH]1)c1cccc(-c2cnc3[nH]c(-c4cnn(C(F)F)c4)cc3c2)n1.

What is the InChIKey of N-(2-cyanopropan-2-yl)-6-[2-[1-(difluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-fluoropyridine-2-carboxamide;6-[2-[1-(difluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(1H-imidazol-2-yl)pyridine-2-carboxamide?

The InChIKey is BLUINTZXWCYUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N7O.C20H14F2N8O/c1-21(2,10-25)30-19(32)17-6-14(22)5-16(28-17)12-3-11-4-15(29-18(11)26-7-12)13-8-27-31(9-13)20(23)24;21-19(22)30-10-13(9-26-30)16-7-11-6-12(8-25-17(11)28-16)14-2-1-3-15(27-14)18(31)29-20-23-4-5-24-20/h3-9,20H,1-2H3,(H,26,29)(H,30,32);1-10,19H,(H,25,28)(H2,23,24,29,31).

What are the key properties of N-(2-cyanopropan-2-yl)-6-[2-[1-(difluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-fluoropyridine-2-carboxamide;6-[2-[1-(difluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(1H-imidazol-2-yl)pyridine-2-carboxamide?

N-(2-cyanopropan-2-yl)-6-[2-[1-(difluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-fluoropyridine-2-carboxamide;6-[2-[1-(difluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(1H-imidazol-2-yl)pyridine-2-carboxamide has a molecular weight of 859.78 g/mol, XLogP of 7.91, 10 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-cyanopropan-2-yl)-6-[2-[1-(difluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-fluoropyridine-2-carboxamide;6-[2-[1-(difluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(1H-imidazol-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 157389210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).