2-amino-5-[1-(cyclopropylmethyl)-5-[(1R,5S)-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridine-3-carbonitrile

C20H21F3N6 — CID 90292672

About 2-amino-5-[1-(cyclopropylmethyl)-5-[(1R,5S)-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridine-3-carbonitrile

2-amino-5-[1-(cyclopropylmethyl)-5-[(1R,5S)-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridine-3-carbonitrile (PubChem CID 90292672) has the molecular formula C20H21F3N6 and a molecular weight of 402.42 g/mol. Its IUPAC name is 2-amino-5-[1-(cyclopropylmethyl)-5-[(1R,5S)-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 2-amino-5-[1-(cyclopropylmethyl)-5-[(1R,5S)-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridine-3-carbonitrile
• PubChem CID: 90292672
• Molecular Formula: C20H21F3N6
• Molecular Weight: 402.42 g/mol
• Exact Mass: 402.18
• IUPAC Name: 2-amino-5-[1-(cyclopropylmethyl)-5-[(1R,5S)-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridine-3-carbonitrile
• SMILES: N#Cc1cc(-c2cc(C3[C@H]4CN(CC(F)(F)F)C[C@@H]34)n(CC3CC3)n2)cnc1N
• InChI: InChI=1S/C20H21F3N6/c21-20(22,23)10-28-8-14-15(9-28)18(14)17-4-16(27-29(17)7-11-1-2-11)13-3-12(5-24)19(25)26-6-13/h3-4,6,11,14-15,18H,1-2,7-10H2,(H2,25,26)/t14-,15+,18?
• InChIKey: MCYTUMLNRZKXRF-MVVMVCHASA-N
• XLogP: 3.02
• TPSA: 83.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.42
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[1-(cyclopropylmethyl)-5-[(1R,5S)-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridine-3-carbonitrile?

The IUPAC name of 2-amino-5-[1-(cyclopropylmethyl)-5-[(1R,5S)-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridine-3-carbonitrile (CID 90292672) is 2-amino-5-[1-(cyclopropylmethyl)-5-[(1R,5S)-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridine-3-carbonitrile.

What is the SMILES notation for 2-amino-5-[1-(cyclopropylmethyl)-5-[(1R,5S)-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridine-3-carbonitrile?

The canonical SMILES for 2-amino-5-[1-(cyclopropylmethyl)-5-[(1R,5S)-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridine-3-carbonitrile is N#Cc1cc(-c2cc(C3[C@H]4CN(CC(F)(F)F)C[C@@H]34)n(CC3CC3)n2)cnc1N.

What is the InChIKey of 2-amino-5-[1-(cyclopropylmethyl)-5-[(1R,5S)-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridine-3-carbonitrile?

The InChIKey is MCYTUMLNRZKXRF-MVVMVCHASA-N. The full InChI is InChI=1S/C20H21F3N6/c21-20(22,23)10-28-8-14-15(9-28)18(14)17-4-16(27-29(17)7-11-1-2-11)13-3-12(5-24)19(25)26-6-13/h3-4,6,11,14-15,18H,1-2,7-10H2,(H2,25,26)/t14-,15+,18?.

What are the key properties of 2-amino-5-[1-(cyclopropylmethyl)-5-[(1R,5S)-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridine-3-carbonitrile?

2-amino-5-[1-(cyclopropylmethyl)-5-[(1R,5S)-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridine-3-carbonitrile has a molecular weight of 402.42 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-5-[1-(cyclopropylmethyl)-5-[(1R,5S)-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 90292672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).