N-(2-cyanopropan-2-yl)-6-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxamide

C24H23N7O2 — CID 129186655

About N-(2-cyanopropan-2-yl)-6-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxamide

N-(2-cyanopropan-2-yl)-6-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxamide (PubChem CID 129186655) has the molecular formula C24H23N7O2 and a molecular weight of 441.50 g/mol. Its IUPAC name is N-(2-cyanopropan-2-yl)-6-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-(2-cyanopropan-2-yl)-6-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxamide
• PubChem CID: 129186655
• Molecular Formula: C24H23N7O2
• Molecular Weight: 441.50 g/mol
• Exact Mass: 441.19
• IUPAC Name: N-(2-cyanopropan-2-yl)-6-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxamide
• SMILES: CC(C)(C#N)NC(=O)c1cccc(-c2cnc3[nH]c(-c4cnc(C(C)(C)O)nc4)cc3c2)n1
• InChI: InChI=1S/C24H23N7O2/c1-23(2,13-25)31-21(32)18-7-5-6-17(29-18)15-8-14-9-19(30-20(14)26-10-15)16-11-27-22(28-12-16)24(3,4)33/h5-12,33H,1-4H3,(H,26,30)(H,31,32)
• InChIKey: OYOHXLCFSLPIFK-UHFFFAOYSA-N
• XLogP: 3.34
• TPSA: 140.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.50
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropan-2-yl)-6-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxamide?

The IUPAC name of N-(2-cyanopropan-2-yl)-6-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxamide (CID 129186655) is N-(2-cyanopropan-2-yl)-6-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxamide.

What is the SMILES notation for N-(2-cyanopropan-2-yl)-6-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxamide?

The canonical SMILES for N-(2-cyanopropan-2-yl)-6-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxamide is CC(C)(C#N)NC(=O)c1cccc(-c2cnc3[nH]c(-c4cnc(C(C)(C)O)nc4)cc3c2)n1.

What is the InChIKey of N-(2-cyanopropan-2-yl)-6-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxamide?

The InChIKey is OYOHXLCFSLPIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O2/c1-23(2,13-25)31-21(32)18-7-5-6-17(29-18)15-8-14-9-19(30-20(14)26-10-15)16-11-27-22(28-12-16)24(3,4)33/h5-12,33H,1-4H3,(H,26,30)(H,31,32).

What are the key properties of N-(2-cyanopropan-2-yl)-6-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxamide?

N-(2-cyanopropan-2-yl)-6-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxamide has a molecular weight of 441.50 g/mol, XLogP of 3.34, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-cyanopropan-2-yl)-6-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 129186655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).