N-tert-butyl-2-(2-methyl-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl)-5-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]pyrrolo[2,3-b]pyrazine-7-carboxamide

C24H37N7O2S — CID 144576889

About N-tert-butyl-2-(2-methyl-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl)-5-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]pyrrolo[2,3-b]pyrazine-7-carboxamide

N-tert-butyl-2-(2-methyl-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl)-5-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 144576889) has the molecular formula C24H37N7O2S and a molecular weight of 487.67 g/mol. Its IUPAC name is N-tert-butyl-2-(2-methyl-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl)-5-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

• Compound Name: N-tert-butyl-2-(2-methyl-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl)-5-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]pyrrolo[2,3-b]pyrazine-7-carboxamide
• PubChem CID: 144576889
• Molecular Formula: C24H37N7O2S
• Molecular Weight: 487.67 g/mol
• Exact Mass: 487.27
• IUPAC Name: N-tert-butyl-2-(2-methyl-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl)-5-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]pyrrolo[2,3-b]pyrazine-7-carboxamide
• SMILES: Cn1cc2c(n1)CCCN2c1cnc2c(n1)c(C(=O)NC(C)(C)C)cn2COCCS(C)(C)C
• InChI: InChI=1S/C24H37N7O2S/c1-24(2,3)27-23(32)17-14-30(16-33-11-12-34(5,6)7)22-21(17)26-20(13-25-22)31-10-8-9-18-19(31)15-29(4)28-18/h13-15H,8-12,16H2,1-7H3,(H,27,32)
• InChIKey: AMPUNGWKZCYEBE-UHFFFAOYSA-N
• XLogP: 3.45
• TPSA: 90.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.67
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2-methyl-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl)-5-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]pyrrolo[2,3-b]pyrazine-7-carboxamide?

The IUPAC name of N-tert-butyl-2-(2-methyl-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl)-5-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 144576889) is N-tert-butyl-2-(2-methyl-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl)-5-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]pyrrolo[2,3-b]pyrazine-7-carboxamide.

What is the SMILES notation for N-tert-butyl-2-(2-methyl-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl)-5-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]pyrrolo[2,3-b]pyrazine-7-carboxamide?

The canonical SMILES for N-tert-butyl-2-(2-methyl-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl)-5-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]pyrrolo[2,3-b]pyrazine-7-carboxamide is Cn1cc2c(n1)CCCN2c1cnc2c(n1)c(C(=O)NC(C)(C)C)cn2COCCS(C)(C)C.

What is the InChIKey of N-tert-butyl-2-(2-methyl-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl)-5-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]pyrrolo[2,3-b]pyrazine-7-carboxamide?

The InChIKey is AMPUNGWKZCYEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N7O2S/c1-24(2,3)27-23(32)17-14-30(16-33-11-12-34(5,6)7)22-21(17)26-20(13-25-22)31-10-8-9-18-19(31)15-29(4)28-18/h13-15H,8-12,16H2,1-7H3,(H,27,32).

What are the key properties of N-tert-butyl-2-(2-methyl-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl)-5-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]pyrrolo[2,3-b]pyrazine-7-carboxamide?

N-tert-butyl-2-(2-methyl-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl)-5-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 487.67 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-2-(2-methyl-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl)-5-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 144576889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).