1-[[4-[2-methyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propan-2-ol

C18H19N7O — CID 42609303

About 1-[[4-[2-methyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propan-2-ol

1-[[4-[2-methyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propan-2-ol (PubChem CID 42609303) has the molecular formula C18H19N7O and a molecular weight of 349.40 g/mol. Its IUPAC name is 1-[[4-[2-methyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propan-2-ol.

Molecular Properties

• Compound Name: 1-[[4-[2-methyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propan-2-ol
• PubChem CID: 42609303
• Molecular Formula: C18H19N7O
• Molecular Weight: 349.40 g/mol
• Exact Mass: 349.17
• IUPAC Name: 1-[[4-[2-methyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propan-2-ol
• SMILES: Cc1nc(-c2cnc3[nH]ccc3c2)c(-c2ccnc(NCC(C)O)n2)[nH]1
• InChI: InChI=1S/C18H19N7O/c1-10(26)8-22-18-20-6-4-14(25-18)16-15(23-11(2)24-16)13-7-12-3-5-19-17(12)21-9-13/h3-7,9-10,26H,8H2,1-2H3,(H,19,21)(H,23,24)(H,20,22,25)
• InChIKey: BMRVRGHVPOZSDM-UHFFFAOYSA-N
• XLogP: 2.51
• TPSA: 115.40 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	349.40
LogP ≤ 5	2.51
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[2-methyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propan-2-ol?

The IUPAC name of 1-[[4-[2-methyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propan-2-ol (CID 42609303) is 1-[[4-[2-methyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propan-2-ol.

What is the SMILES notation for 1-[[4-[2-methyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propan-2-ol?

The canonical SMILES for 1-[[4-[2-methyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propan-2-ol is Cc1nc(-c2cnc3[nH]ccc3c2)c(-c2ccnc(NCC(C)O)n2)[nH]1.

What is the InChIKey of 1-[[4-[2-methyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propan-2-ol?

The InChIKey is BMRVRGHVPOZSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O/c1-10(26)8-22-18-20-6-4-14(25-18)16-15(23-11(2)24-16)13-7-12-3-5-19-17(12)21-9-13/h3-7,9-10,26H,8H2,1-2H3,(H,19,21)(H,23,24)(H,20,22,25).

What are the key properties of 1-[[4-[2-methyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propan-2-ol?

1-[[4-[2-methyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propan-2-ol has a molecular weight of 349.40 g/mol, XLogP of 2.51, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[4-[2-methyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propan-2-ol is sourced from PubChem (CID 42609303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).