(1S)-1'-[7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride

C26H32ClN7O — CID 169080102

About (1S)-1'-[7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride

(1S)-1'-[7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride (PubChem CID 169080102) has the molecular formula C26H32ClN7O and a molecular weight of 494.04 g/mol. Its IUPAC name is (1S)-1'-[7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride.

Molecular Properties

• Compound Name: (1S)-1'-[7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride
• PubChem CID: 169080102
• Molecular Formula: C26H32ClN7O
• Molecular Weight: 494.04 g/mol
• Exact Mass: 493.24
• IUPAC Name: (1S)-1'-[7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride
• SMILES: COc1ccc2c(c1)[C@@H](N)C1(CCN(c3nc(C)c(-c4cnn(C)c4C)n4nccc34)CC1)C2.Cl
• InChI: InChI=1S/C26H31N7O.ClH/c1-16-23(21-15-29-31(3)17(21)2)33-22(7-10-28-33)25(30-16)32-11-8-26(9-12-32)14-18-5-6-19(34-4)13-20(18)24(26)27;/h5-7,10,13,15,24H,8-9,11-12,14,27H2,1-4H3;1H/t24-;/m1./s1
• InChIKey: QNLMQMPMFKXDCQ-GJFSDDNBSA-N
• XLogP: 4.02
• TPSA: 86.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.04
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (1S)-1'-[7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride?

The IUPAC name of (1S)-1'-[7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride (CID 169080102) is (1S)-1'-[7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride.

What is the SMILES notation for (1S)-1'-[7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride?

The canonical SMILES for (1S)-1'-[7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride is COc1ccc2c(c1)[C@@H](N)C1(CCN(c3nc(C)c(-c4cnn(C)c4C)n4nccc34)CC1)C2.Cl.

What is the InChIKey of (1S)-1'-[7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride?

The InChIKey is QNLMQMPMFKXDCQ-GJFSDDNBSA-N. The full InChI is InChI=1S/C26H31N7O.ClH/c1-16-23(21-15-29-31(3)17(21)2)33-22(7-10-28-33)25(30-16)32-11-8-26(9-12-32)14-18-5-6-19(34-4)13-20(18)24(26)27;/h5-7,10,13,15,24H,8-9,11-12,14,27H2,1-4H3;1H/t24-;/m1./s1.

What are the key properties of (1S)-1'-[7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride?

(1S)-1'-[7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride has a molecular weight of 494.04 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-1'-[7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride is sourced from PubChem (CID 169080102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).