N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-(2-propan-2-ylpyrrolo[2,3-c]pyridazin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H26N8O2 — CID 146560233

About N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-(2-propan-2-ylpyrrolo[2,3-c]pyridazin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-(2-propan-2-ylpyrrolo[2,3-c]pyridazin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146560233) has the molecular formula C22H26N8O2 and a molecular weight of 434.50 g/mol. Its IUPAC name is N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-(2-propan-2-ylpyrrolo[2,3-c]pyridazin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-(2-propan-2-ylpyrrolo[2,3-c]pyridazin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 146560233
• Molecular Formula: C22H26N8O2
• Molecular Weight: 434.50 g/mol
• Exact Mass: 434.22
• IUPAC Name: N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-(2-propan-2-ylpyrrolo[2,3-c]pyridazin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(-c2cnc3nn(C(C)C)ccc2-3)nc2c(C(=O)NC3CC[C@@H]3OC)cnn12
• InChI: InChI=1S/C22H26N8O2/c1-12(2)29-8-7-13-14(10-24-20(13)28-29)17-9-19(23-3)30-21(26-17)15(11-25-30)22(31)27-16-5-6-18(16)32-4/h7-12,16,18,23H,5-6H2,1-4H3,(H,27,31)/t16?,18-/m0/s1
• InChIKey: JIHYSHHNIQTQMM-DAFXYXGESA-N
• XLogP: 2.62
• TPSA: 111.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.50
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-(2-propan-2-ylpyrrolo[2,3-c]pyridazin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-(2-propan-2-ylpyrrolo[2,3-c]pyridazin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146560233) is N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-(2-propan-2-ylpyrrolo[2,3-c]pyridazin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-(2-propan-2-ylpyrrolo[2,3-c]pyridazin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-(2-propan-2-ylpyrrolo[2,3-c]pyridazin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(-c2cnc3nn(C(C)C)ccc2-3)nc2c(C(=O)NC3CC[C@@H]3OC)cnn12.

What is the InChIKey of N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-(2-propan-2-ylpyrrolo[2,3-c]pyridazin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is JIHYSHHNIQTQMM-DAFXYXGESA-N. The full InChI is InChI=1S/C22H26N8O2/c1-12(2)29-8-7-13-14(10-24-20(13)28-29)17-9-19(23-3)30-21(26-17)15(11-25-30)22(31)27-16-5-6-18(16)32-4/h7-12,16,18,23H,5-6H2,1-4H3,(H,27,31)/t16?,18-/m0/s1.

What are the key properties of N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-(2-propan-2-ylpyrrolo[2,3-c]pyridazin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-(2-propan-2-ylpyrrolo[2,3-c]pyridazin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-(2-propan-2-ylpyrrolo[2,3-c]pyridazin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146560233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).