4-butyl-N-methyl-6-[5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine

C19H21N7 — CID 141339665

About 4-butyl-N-methyl-6-[5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine

4-butyl-N-methyl-6-[5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine (PubChem CID 141339665) has the molecular formula C19H21N7 and a molecular weight of 347.43 g/mol. Its IUPAC name is 4-butyl-N-methyl-6-[5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 4-butyl-N-methyl-6-[5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
• PubChem CID: 141339665
• Molecular Formula: C19H21N7
• Molecular Weight: 347.43 g/mol
• Exact Mass: 347.19
• IUPAC Name: 4-butyl-N-methyl-6-[5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
• SMILES: CCCCc1cc(-c2c[nH]c3ncc(-c4cn[nH]c4)cc23)nc(NC)n1
• InChI: InChI=1S/C19H21N7/c1-3-4-5-14-7-17(26-19(20-2)25-14)16-11-22-18-15(16)6-12(8-21-18)13-9-23-24-10-13/h6-11H,3-5H2,1-2H3,(H,21,22)(H,23,24)(H,20,25,26)
• InChIKey: GTYKEPJYQXEJJB-UHFFFAOYSA-N
• XLogP: 3.79
• TPSA: 95.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.43
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-methyl-6-[5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine?

The IUPAC name of 4-butyl-N-methyl-6-[5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine (CID 141339665) is 4-butyl-N-methyl-6-[5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine.

What is the SMILES notation for 4-butyl-N-methyl-6-[5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine?

The canonical SMILES for 4-butyl-N-methyl-6-[5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine is CCCCc1cc(-c2c[nH]c3ncc(-c4cn[nH]c4)cc23)nc(NC)n1.

What is the InChIKey of 4-butyl-N-methyl-6-[5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine?

The InChIKey is GTYKEPJYQXEJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7/c1-3-4-5-14-7-17(26-19(20-2)25-14)16-11-22-18-15(16)6-12(8-21-18)13-9-23-24-10-13/h6-11H,3-5H2,1-2H3,(H,21,22)(H,23,24)(H,20,25,26).

What are the key properties of 4-butyl-N-methyl-6-[5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine?

4-butyl-N-methyl-6-[5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine has a molecular weight of 347.43 g/mol, XLogP of 3.79, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-butyl-N-methyl-6-[5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 141339665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).