N-tert-butyl-4-[4-[(3-methylimidazo[1,5-a]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxamide

C24H28N8O — CID 69274221

About N-tert-butyl-4-[4-[(3-methylimidazo[1,5-a]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxamide

N-tert-butyl-4-[4-[(3-methylimidazo[1,5-a]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 69274221) has the molecular formula C24H28N8O and a molecular weight of 444.54 g/mol. Its IUPAC name is N-tert-butyl-4-[4-[(3-methylimidazo[1,5-a]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

• Compound Name: N-tert-butyl-4-[4-[(3-methylimidazo[1,5-a]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
• PubChem CID: 69274221
• Molecular Formula: C24H28N8O
• Molecular Weight: 444.54 g/mol
• Exact Mass: 444.24
• IUPAC Name: N-tert-butyl-4-[4-[(3-methylimidazo[1,5-a]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
• SMILES: Cc1ncc2ccc(Nc3ncnc4[nH]c(C5=CCN(C(=O)NC(C)(C)C)CC5)cc34)cn12
• InChI: InChI=1S/C24H28N8O/c1-15-25-12-18-6-5-17(13-32(15)18)28-21-19-11-20(29-22(19)27-14-26-21)16-7-9-31(10-8-16)23(33)30-24(2,3)4/h5-7,11-14H,8-10H2,1-4H3,(H,30,33)(H2,26,27,28,29)
• InChIKey: IZBNYALSHHVPHJ-UHFFFAOYSA-N
• XLogP: 4.25
• TPSA: 103.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.54
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[4-[(3-methylimidazo[1,5-a]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?

The IUPAC name of N-tert-butyl-4-[4-[(3-methylimidazo[1,5-a]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxamide (CID 69274221) is N-tert-butyl-4-[4-[(3-methylimidazo[1,5-a]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxamide.

What is the SMILES notation for N-tert-butyl-4-[4-[(3-methylimidazo[1,5-a]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?

The canonical SMILES for N-tert-butyl-4-[4-[(3-methylimidazo[1,5-a]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxamide is Cc1ncc2ccc(Nc3ncnc4[nH]c(C5=CCN(C(=O)NC(C)(C)C)CC5)cc34)cn12.

What is the InChIKey of N-tert-butyl-4-[4-[(3-methylimidazo[1,5-a]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?

The InChIKey is IZBNYALSHHVPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8O/c1-15-25-12-18-6-5-17(13-32(15)18)28-21-19-11-20(29-22(19)27-14-26-21)16-7-9-31(10-8-16)23(33)30-24(2,3)4/h5-7,11-14H,8-10H2,1-4H3,(H,30,33)(H2,26,27,28,29).

What are the key properties of N-tert-butyl-4-[4-[(3-methylimidazo[1,5-a]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?

N-tert-butyl-4-[4-[(3-methylimidazo[1,5-a]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 444.54 g/mol, XLogP of 4.25, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-4-[4-[(3-methylimidazo[1,5-a]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 69274221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).