3-[[2-amino-6-[5-(2-methyl-1,5-dihydropyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-(2-methyl-4-pyridinyl)amino]propanamide

C24H26N10O — CID 123970429

About 3-[[2-amino-6-[5-(2-methyl-1,5-dihydropyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-(2-methyl-4-pyridinyl)amino]propanamide

3-[[2-amino-6-[5-(2-methyl-1,5-dihydropyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-(2-methyl-4-pyridinyl)amino]propanamide (PubChem CID 123970429) has the molecular formula C24H26N10O and a molecular weight of 470.54 g/mol. Its IUPAC name is 3-[[2-amino-6-[5-(2-methyl-1,5-dihydropyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-(2-methyl-4-pyridinyl)amino]propanamide.

Molecular Properties

• Compound Name: 3-[[2-amino-6-[5-(2-methyl-1,5-dihydropyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-(2-methyl-4-pyridinyl)amino]propanamide
• PubChem CID: 123970429
• Molecular Formula: C24H26N10O
• Molecular Weight: 470.54 g/mol
• Exact Mass: 470.23
• IUPAC Name: 3-[[2-amino-6-[5-(2-methyl-1,5-dihydropyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-(2-methyl-4-pyridinyl)amino]propanamide
• SMILES: Cc1cc(N(CCC(N)=O)c2cc(-c3c[nH]c4ncc(C5=CN(C)NC5)cc34)nc(N)n2)ccn1
• InChI: InChI=1S/C24H26N10O/c1-14-7-17(3-5-27-14)34(6-4-21(25)35)22-9-20(31-24(26)32-22)19-12-29-23-18(19)8-15(10-28-23)16-11-30-33(2)13-16/h3,5,7-10,12-13,30H,4,6,11H2,1-2H3,(H2,25,35)(H,28,29)(H2,26,31,32)
• InChIKey: WFHTZFAMRRDCFZ-UHFFFAOYSA-N
• XLogP: 2.11
• TPSA: 154.97 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.54
LogP ≤ 5	2.11
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[[2-amino-6-[5-(2-methyl-1,5-dihydropyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-(2-methyl-4-pyridinyl)amino]propanamide?

The IUPAC name of 3-[[2-amino-6-[5-(2-methyl-1,5-dihydropyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-(2-methyl-4-pyridinyl)amino]propanamide (CID 123970429) is 3-[[2-amino-6-[5-(2-methyl-1,5-dihydropyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-(2-methyl-4-pyridinyl)amino]propanamide.

What is the SMILES notation for 3-[[2-amino-6-[5-(2-methyl-1,5-dihydropyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-(2-methyl-4-pyridinyl)amino]propanamide?

The canonical SMILES for 3-[[2-amino-6-[5-(2-methyl-1,5-dihydropyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-(2-methyl-4-pyridinyl)amino]propanamide is Cc1cc(N(CCC(N)=O)c2cc(-c3c[nH]c4ncc(C5=CN(C)NC5)cc34)nc(N)n2)ccn1.

What is the InChIKey of 3-[[2-amino-6-[5-(2-methyl-1,5-dihydropyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-(2-methyl-4-pyridinyl)amino]propanamide?

The InChIKey is WFHTZFAMRRDCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N10O/c1-14-7-17(3-5-27-14)34(6-4-21(25)35)22-9-20(31-24(26)32-22)19-12-29-23-18(19)8-15(10-28-23)16-11-30-33(2)13-16/h3,5,7-10,12-13,30H,4,6,11H2,1-2H3,(H2,25,35)(H,28,29)(H2,26,31,32).

What are the key properties of 3-[[2-amino-6-[5-(2-methyl-1,5-dihydropyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-(2-methyl-4-pyridinyl)amino]propanamide?

3-[[2-amino-6-[5-(2-methyl-1,5-dihydropyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-(2-methyl-4-pyridinyl)amino]propanamide has a molecular weight of 470.54 g/mol, XLogP of 2.11, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[2-amino-6-[5-(2-methyl-1,5-dihydropyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-(2-methyl-4-pyridinyl)amino]propanamide is sourced from PubChem (CID 123970429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).