2-[1-[2-[4-(2-hydroxypropan-2-yl)-2-azabicyclo[2.1.1]hexan-2-yl]-6-methyl-4-pyridinyl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile

C27H29N5O — CID 142556899

About 2-[1-[2-[4-(2-hydroxypropan-2-yl)-2-azabicyclo[2.1.1]hexan-2-yl]-6-methyl-4-pyridinyl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile

2-[1-[2-[4-(2-hydroxypropan-2-yl)-2-azabicyclo[2.1.1]hexan-2-yl]-6-methyl-4-pyridinyl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile (PubChem CID 142556899) has the molecular formula C27H29N5O and a molecular weight of 439.56 g/mol. Its IUPAC name is 2-[1-[2-[4-(2-hydroxypropan-2-yl)-2-azabicyclo[2.1.1]hexan-2-yl]-6-methyl-4-pyridinyl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile.

Molecular Properties

• Compound Name: 2-[1-[2-[4-(2-hydroxypropan-2-yl)-2-azabicyclo[2.1.1]hexan-2-yl]-6-methyl-4-pyridinyl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
• PubChem CID: 142556899
• Molecular Formula: C27H29N5O
• Molecular Weight: 439.56 g/mol
• Exact Mass: 439.24
• IUPAC Name: 2-[1-[2-[4-(2-hydroxypropan-2-yl)-2-azabicyclo[2.1.1]hexan-2-yl]-6-methyl-4-pyridinyl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
• SMILES: Cc1cc(-n2ncc3ccc(C4(C#N)CC45CC5)cc32)cc(N2CC3(C(C)(C)O)CC2C3)n1
• InChI: InChI=1S/C27H29N5O/c1-17-8-20(10-23(30-17)31-16-26(24(2,3)33)11-21(31)12-26)32-22-9-19(5-4-18(22)13-29-32)27(15-28)14-25(27)6-7-25/h4-5,8-10,13,21,33H,6-7,11-12,14,16H2,1-3H3
• InChIKey: LCWJJHKDWXTPPD-UHFFFAOYSA-N
• XLogP: 4.41
• TPSA: 77.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.56
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[4-(2-hydroxypropan-2-yl)-2-azabicyclo[2.1.1]hexan-2-yl]-6-methyl-4-pyridinyl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile?

The IUPAC name of 2-[1-[2-[4-(2-hydroxypropan-2-yl)-2-azabicyclo[2.1.1]hexan-2-yl]-6-methyl-4-pyridinyl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile (CID 142556899) is 2-[1-[2-[4-(2-hydroxypropan-2-yl)-2-azabicyclo[2.1.1]hexan-2-yl]-6-methyl-4-pyridinyl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile.

What is the SMILES notation for 2-[1-[2-[4-(2-hydroxypropan-2-yl)-2-azabicyclo[2.1.1]hexan-2-yl]-6-methyl-4-pyridinyl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile?

The canonical SMILES for 2-[1-[2-[4-(2-hydroxypropan-2-yl)-2-azabicyclo[2.1.1]hexan-2-yl]-6-methyl-4-pyridinyl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile is Cc1cc(-n2ncc3ccc(C4(C#N)CC45CC5)cc32)cc(N2CC3(C(C)(C)O)CC2C3)n1.

What is the InChIKey of 2-[1-[2-[4-(2-hydroxypropan-2-yl)-2-azabicyclo[2.1.1]hexan-2-yl]-6-methyl-4-pyridinyl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile?

The InChIKey is LCWJJHKDWXTPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O/c1-17-8-20(10-23(30-17)31-16-26(24(2,3)33)11-21(31)12-26)32-22-9-19(5-4-18(22)13-29-32)27(15-28)14-25(27)6-7-25/h4-5,8-10,13,21,33H,6-7,11-12,14,16H2,1-3H3.

What are the key properties of 2-[1-[2-[4-(2-hydroxypropan-2-yl)-2-azabicyclo[2.1.1]hexan-2-yl]-6-methyl-4-pyridinyl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile?

2-[1-[2-[4-(2-hydroxypropan-2-yl)-2-azabicyclo[2.1.1]hexan-2-yl]-6-methyl-4-pyridinyl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile has a molecular weight of 439.56 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[2-[4-(2-hydroxypropan-2-yl)-2-azabicyclo[2.1.1]hexan-2-yl]-6-methyl-4-pyridinyl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile is sourced from PubChem (CID 142556899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).