2-[5-fluoro-1-[6-[4-(2-hydroxypropan-2-yl)-2-azabicyclo[2.1.1]hexan-2-yl]-2-methylpyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile

C26H27FN6O — CID 138544350

IUPAC2-[5-fluoro-1-[6-[4-(2-hydroxypropan-2-yl)-2-azabicyclo[2.1.1]hexan-2-yl]-2-methylpyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
SMILESCc1nc(N2CC3(C(C)(C)O)CC2C3)cc(-n2ncc3cc(F)c(C4(C#N)CC45CC5)cc32)n1
InChIInChI=1S/C26H27FN6O/c1-15-30-21(32-14-25(23(2,3)34)9-17(32)10-25)8-22(31-15)33-20-7-18(19(27)6-16(20)11-29-33)26(13-28)12-24(26)4-5-24/h6-8,11,17,34H,4-5,9-10,12,14H2,1-3H3
InChIKeyGNTXGDSZRJKWCV-UHFFFAOYSA-N
MW458.54 g/mol
LogP3.95
Rot. Bonds4

About 2-[5-fluoro-1-[6-[4-(2-hydroxypropan-2-yl)-2-azabicyclo[2.1.1]hexan-2-yl]-2-methylpyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile

2-[5-fluoro-1-[6-[4-(2-hydroxypropan-2-yl)-2-azabicyclo[2.1.1]hexan-2-yl]-2-methylpyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile (PubChem CID 138544350) has the molecular formula C26H27FN6O and a molecular weight of 458.54 g/mol. Its IUPAC name is 2-[5-fluoro-1-[6-[4-(2-hydroxypropan-2-yl)-2-azabicyclo[2.1.1]hexan-2-yl]-2-methylpyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile.

Molecular Properties

Compound Name2-[5-fluoro-1-[6-[4-(2-hydroxypropan-2-yl)-2-azabicyclo[2.1.1]hexan-2-yl]-2-methylpyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
PubChem CID138544350
Molecular FormulaC26H27FN6O
Molecular Weight458.54 g/mol
Exact Mass458.22
IUPAC Name2-[5-fluoro-1-[6-[4-(2-hydroxypropan-2-yl)-2-azabicyclo[2.1.1]hexan-2-yl]-2-methylpyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
SMILESCc1nc(N2CC3(C(C)(C)O)CC2C3)cc(-n2ncc3cc(F)c(C4(C#N)CC45CC5)cc32)n1
InChIInChI=1S/C26H27FN6O/c1-15-30-21(32-14-25(23(2,3)34)9-17(32)10-25)8-22(31-15)33-20-7-18(19(27)6-16(20)11-29-33)26(13-28)12-24(26)4-5-24/h6-8,11,17,34H,4-5,9-10,12,14H2,1-3H3
InChIKeyGNTXGDSZRJKWCV-UHFFFAOYSA-N
XLogP3.95
TPSA90.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[5-fluoro-1-[6-[4-(2-hydroxypropan-2-yl)-2-azabicyclo[2.1.1]hexan-2-yl]-2-methylpyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-1-[6-[4-(2-hydroxypropan-2-yl)-2-azabicyclo[2.1.1]hexan-2-yl]-2-methylpyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile?
The IUPAC name of 2-[5-fluoro-1-[6-[4-(2-hydroxypropan-2-yl)-2-azabicyclo[2.1.1]hexan-2-yl]-2-methylpyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile (CID 138544350) is 2-[5-fluoro-1-[6-[4-(2-hydroxypropan-2-yl)-2-azabicyclo[2.1.1]hexan-2-yl]-2-methylpyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile.
What is the SMILES notation for 2-[5-fluoro-1-[6-[4-(2-hydroxypropan-2-yl)-2-azabicyclo[2.1.1]hexan-2-yl]-2-methylpyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile?
The canonical SMILES for 2-[5-fluoro-1-[6-[4-(2-hydroxypropan-2-yl)-2-azabicyclo[2.1.1]hexan-2-yl]-2-methylpyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile is Cc1nc(N2CC3(C(C)(C)O)CC2C3)cc(-n2ncc3cc(F)c(C4(C#N)CC45CC5)cc32)n1.
What is the InChIKey of 2-[5-fluoro-1-[6-[4-(2-hydroxypropan-2-yl)-2-azabicyclo[2.1.1]hexan-2-yl]-2-methylpyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile?
The InChIKey is GNTXGDSZRJKWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN6O/c1-15-30-21(32-14-25(23(2,3)34)9-17(32)10-25)8-22(31-15)33-20-7-18(19(27)6-16(20)11-29-33)26(13-28)12-24(26)4-5-24/h6-8,11,17,34H,4-5,9-10,12,14H2,1-3H3.
What are the key properties of 2-[5-fluoro-1-[6-[4-(2-hydroxypropan-2-yl)-2-azabicyclo[2.1.1]hexan-2-yl]-2-methylpyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile?
2-[5-fluoro-1-[6-[4-(2-hydroxypropan-2-yl)-2-azabicyclo[2.1.1]hexan-2-yl]-2-methylpyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile has a molecular weight of 458.54 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-1-[6-[4-(2-hydroxypropan-2-yl)-2-azabicyclo[2.1.1]hexan-2-yl]-2-methylpyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile is sourced from PubChem (CID 138544350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).