6-methoxy-2-[(1S,2S)-2-methyl-4-(methylamino)cyclohexyl]-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide

C23H27N7O2 — CID 163396571

About 6-methoxy-2-[(1S,2S)-2-methyl-4-(methylamino)cyclohexyl]-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide

6-methoxy-2-[(1S,2S)-2-methyl-4-(methylamino)cyclohexyl]-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide (PubChem CID 163396571) has the molecular formula C23H27N7O2 and a molecular weight of 433.52 g/mol. Its IUPAC name is 6-methoxy-2-[(1S,2S)-2-methyl-4-(methylamino)cyclohexyl]-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide.

Molecular Properties

• Compound Name: 6-methoxy-2-[(1S,2S)-2-methyl-4-(methylamino)cyclohexyl]-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide
• PubChem CID: 163396571
• Molecular Formula: C23H27N7O2
• Molecular Weight: 433.52 g/mol
• Exact Mass: 433.22
• IUPAC Name: 6-methoxy-2-[(1S,2S)-2-methyl-4-(methylamino)cyclohexyl]-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide
• SMILES: CNC1CC[C@H](n2cc3cc(C(=O)Nc4cnn5cccnc45)c(OC)cc3n2)[C@@H](C)C1
• InChI: InChI=1S/C23H27N7O2/c1-14-9-16(24-2)5-6-20(14)30-13-15-10-17(21(32-3)11-18(15)28-30)23(31)27-19-12-26-29-8-4-7-25-22(19)29/h4,7-8,10-14,16,20,24H,5-6,9H2,1-3H3,(H,27,31)/t14-,16?,20-/m0/s1
• InChIKey: SINJSHFNURMHGL-VXCCZKMHSA-N
• XLogP: 3.29
• TPSA: 98.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.52
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[(1S,2S)-2-methyl-4-(methylamino)cyclohexyl]-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide?

The IUPAC name of 6-methoxy-2-[(1S,2S)-2-methyl-4-(methylamino)cyclohexyl]-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide (CID 163396571) is 6-methoxy-2-[(1S,2S)-2-methyl-4-(methylamino)cyclohexyl]-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide.

What is the SMILES notation for 6-methoxy-2-[(1S,2S)-2-methyl-4-(methylamino)cyclohexyl]-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide?

The canonical SMILES for 6-methoxy-2-[(1S,2S)-2-methyl-4-(methylamino)cyclohexyl]-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide is CNC1CC[C@H](n2cc3cc(C(=O)Nc4cnn5cccnc45)c(OC)cc3n2)[C@@H](C)C1.

What is the InChIKey of 6-methoxy-2-[(1S,2S)-2-methyl-4-(methylamino)cyclohexyl]-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide?

The InChIKey is SINJSHFNURMHGL-VXCCZKMHSA-N. The full InChI is InChI=1S/C23H27N7O2/c1-14-9-16(24-2)5-6-20(14)30-13-15-10-17(21(32-3)11-18(15)28-30)23(31)27-19-12-26-29-8-4-7-25-22(19)29/h4,7-8,10-14,16,20,24H,5-6,9H2,1-3H3,(H,27,31)/t14-,16?,20-/m0/s1.

What are the key properties of 6-methoxy-2-[(1S,2S)-2-methyl-4-(methylamino)cyclohexyl]-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide?

6-methoxy-2-[(1S,2S)-2-methyl-4-(methylamino)cyclohexyl]-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide has a molecular weight of 433.52 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methoxy-2-[(1S,2S)-2-methyl-4-(methylamino)cyclohexyl]-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide is sourced from PubChem (CID 163396571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).