1-[(1S,5R)-6-[[[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]prop-2-en-1-one

C20H22N6O — CID 167070882

About 1-[(1S,5R)-6-[[[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]prop-2-en-1-one

1-[(1S,5R)-6-[[[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]prop-2-en-1-one (PubChem CID 167070882) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 1-[(1S,5R)-6-[[[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]prop-2-en-1-one.

Molecular Properties

• Compound Name: 1-[(1S,5R)-6-[[[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]prop-2-en-1-one
• PubChem CID: 167070882
• Molecular Formula: C20H22N6O
• Molecular Weight: 362.44 g/mol
• Exact Mass: 362.19
• IUPAC Name: 1-[(1S,5R)-6-[[[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]prop-2-en-1-one
• SMILES: C=CC(=O)N1C[C@@H]2C(CNc3cc(-c4cnn(C)c4)cn4nccc34)[C@@H]2C1
• InChI: InChI=1S/C20H22N6O/c1-3-20(27)25-11-16-15(17(16)12-25)8-21-18-6-13(14-7-23-24(2)9-14)10-26-19(18)4-5-22-26/h3-7,9-10,15-17,21H,1,8,11-12H2,2H3/t15?,16-,17+
• InChIKey: NQJVWIOKJAQFPD-ALOPSCKCSA-N
• XLogP: 2.04
• TPSA: 67.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.44
LogP ≤ 5	2.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,5R)-6-[[[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]prop-2-en-1-one?

The IUPAC name of 1-[(1S,5R)-6-[[[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]prop-2-en-1-one (CID 167070882) is 1-[(1S,5R)-6-[[[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]prop-2-en-1-one.

What is the SMILES notation for 1-[(1S,5R)-6-[[[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]prop-2-en-1-one?

The canonical SMILES for 1-[(1S,5R)-6-[[[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]prop-2-en-1-one is C=CC(=O)N1C[C@@H]2C(CNc3cc(-c4cnn(C)c4)cn4nccc34)[C@@H]2C1.

What is the InChIKey of 1-[(1S,5R)-6-[[[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]prop-2-en-1-one?

The InChIKey is NQJVWIOKJAQFPD-ALOPSCKCSA-N. The full InChI is InChI=1S/C20H22N6O/c1-3-20(27)25-11-16-15(17(16)12-25)8-21-18-6-13(14-7-23-24(2)9-14)10-26-19(18)4-5-22-26/h3-7,9-10,15-17,21H,1,8,11-12H2,2H3/t15?,16-,17+.

What are the key properties of 1-[(1S,5R)-6-[[[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]prop-2-en-1-one?

1-[(1S,5R)-6-[[[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]prop-2-en-1-one has a molecular weight of 362.44 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(1S,5R)-6-[[[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]prop-2-en-1-one is sourced from PubChem (CID 167070882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).