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

C24H24N10O — CID 57335986

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

3-[[2-amino-6-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-(2-methyl-4-pyridinyl)amino]propanamide (PubChem CID 57335986) has the molecular formula C24H24N10O and a molecular weight of 468.53 g/mol. Its IUPAC name is 3-[[2-amino-6-[5-(1-methylpyrazol-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-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-(2-methyl-4-pyridinyl)amino]propanamide
• PubChem CID: 57335986
• Molecular Formula: C24H24N10O
• Molecular Weight: 468.53 g/mol
• Exact Mass: 468.21
• IUPAC Name: 3-[[2-amino-6-[5-(1-methylpyrazol-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(-c5cnn(C)c5)cc34)nc(N)n2)ccn1
• InChI: InChI=1S/C24H24N10O/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/h3,5,7-13H,4,6H2,1-2H3,(H2,25,35)(H,28,29)(H2,26,31,32)
• InChIKey: QUWZHVPYIMOGFA-UHFFFAOYSA-N
• XLogP: 2.72
• TPSA: 157.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.53
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	3
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-(1-methylpyrazol-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-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-(2-methyl-4-pyridinyl)amino]propanamide (CID 57335986) is 3-[[2-amino-6-[5-(1-methylpyrazol-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-(1-methylpyrazol-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-(1-methylpyrazol-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(-c5cnn(C)c5)cc34)nc(N)n2)ccn1.

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

The InChIKey is QUWZHVPYIMOGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N10O/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/h3,5,7-13H,4,6H2,1-2H3,(H2,25,35)(H,28,29)(H2,26,31,32).

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

3-[[2-amino-6-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-(2-methyl-4-pyridinyl)amino]propanamide has a molecular weight of 468.53 g/mol, XLogP of 2.72, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[2-amino-6-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-(2-methyl-4-pyridinyl)amino]propanamide is sourced from PubChem (CID 57335986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).