4-[6-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride

C22H21ClN8 — CID 155388164

About 4-[6-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride

4-[6-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride (PubChem CID 155388164) has the molecular formula C22H21ClN8 and a molecular weight of 432.92 g/mol. Its IUPAC name is 4-[6-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride.

Molecular Properties

• Compound Name: 4-[6-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride
• PubChem CID: 155388164
• Molecular Formula: C22H21ClN8
• Molecular Weight: 432.92 g/mol
• Exact Mass: 432.16
• IUPAC Name: 4-[6-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride
• SMILES: Cl.Cn1cc(-c2cc(-c3ccc(N4C[C@@H]5C(N)[C@@H]5C4)nc3)c3c(C#N)cnn3c2)cn1
• InChI: InChI=1S/C22H20N8.ClH/c1-28-9-16(8-26-28)14-4-17(22-15(5-23)7-27-30(22)10-14)13-2-3-20(25-6-13)29-11-18-19(12-29)21(18)24;/h2-4,6-10,18-19,21H,11-12,24H2,1H3;1H/t18-,19+,21?
• InChIKey: SUTMLMRSPIJYEE-YNTFXIJASA-N
• XLogP: 2.48
• TPSA: 101.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.92
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride?

The IUPAC name of 4-[6-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride (CID 155388164) is 4-[6-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride.

What is the SMILES notation for 4-[6-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride?

The canonical SMILES for 4-[6-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride is Cl.Cn1cc(-c2cc(-c3ccc(N4C[C@@H]5C(N)[C@@H]5C4)nc3)c3c(C#N)cnn3c2)cn1.

What is the InChIKey of 4-[6-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride?

The InChIKey is SUTMLMRSPIJYEE-YNTFXIJASA-N. The full InChI is InChI=1S/C22H20N8.ClH/c1-28-9-16(8-26-28)14-4-17(22-15(5-23)7-27-30(22)10-14)13-2-3-20(25-6-13)29-11-18-19(12-29)21(18)24;/h2-4,6-10,18-19,21H,11-12,24H2,1H3;1H/t18-,19+,21?;.

What are the key properties of 4-[6-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride?

4-[6-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride has a molecular weight of 432.92 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride is sourced from PubChem (CID 155388164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).