1-[1-[6-[4-(2-hydroxypropan-2-yl)-2-azabicyclo[2.1.1]hexan-2-yl]-2-(methoxymethyl)pyrimidin-4-yl]indazol-6-yl]cyclopropane-1-carbonitrile

C25H28N6O2 — CID 138550416

IUPAC1-[1-[6-[4-(2-hydroxypropan-2-yl)-2-azabicyclo[2.1.1]hexan-2-yl]-2-(methoxymethyl)pyrimidin-4-yl]indazol-6-yl]cyclopropane-1-carbonitrile
SMILESCOCc1nc(N2CC3(C(C)(C)O)CC2C3)cc(-n2ncc3ccc(C4(C#N)CC4)cc32)n1
InChIInChI=1S/C25H28N6O2/c1-23(2,32)25-10-18(11-25)30(15-25)21-9-22(29-20(28-21)13-33-3)31-19-8-17(24(14-26)6-7-24)5-4-16(19)12-27-31/h4-5,8-9,12,18,32H,6-7,10-11,13,15H2,1-3H3
InChIKeyHYCFZJMMLIZUCK-UHFFFAOYSA-N
MW444.54 g/mol
LogP3.26
Rot. Bonds6

About 1-[1-[6-[4-(2-hydroxypropan-2-yl)-2-azabicyclo[2.1.1]hexan-2-yl]-2-(methoxymethyl)pyrimidin-4-yl]indazol-6-yl]cyclopropane-1-carbonitrile

1-[1-[6-[4-(2-hydroxypropan-2-yl)-2-azabicyclo[2.1.1]hexan-2-yl]-2-(methoxymethyl)pyrimidin-4-yl]indazol-6-yl]cyclopropane-1-carbonitrile (PubChem CID 138550416) has the molecular formula C25H28N6O2 and a molecular weight of 444.54 g/mol. Its IUPAC name is 1-[1-[6-[4-(2-hydroxypropan-2-yl)-2-azabicyclo[2.1.1]hexan-2-yl]-2-(methoxymethyl)pyrimidin-4-yl]indazol-6-yl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[1-[6-[4-(2-hydroxypropan-2-yl)-2-azabicyclo[2.1.1]hexan-2-yl]-2-(methoxymethyl)pyrimidin-4-yl]indazol-6-yl]cyclopropane-1-carbonitrile
PubChem CID138550416
Molecular FormulaC25H28N6O2
Molecular Weight444.54 g/mol
Exact Mass444.23
IUPAC Name1-[1-[6-[4-(2-hydroxypropan-2-yl)-2-azabicyclo[2.1.1]hexan-2-yl]-2-(methoxymethyl)pyrimidin-4-yl]indazol-6-yl]cyclopropane-1-carbonitrile
SMILESCOCc1nc(N2CC3(C(C)(C)O)CC2C3)cc(-n2ncc3ccc(C4(C#N)CC4)cc32)n1
InChIInChI=1S/C25H28N6O2/c1-23(2,32)25-10-18(11-25)30(15-25)21-9-22(29-20(28-21)13-33-3)31-19-8-17(24(14-26)6-7-24)5-4-16(19)12-27-31/h4-5,8-9,12,18,32H,6-7,10-11,13,15H2,1-3H3
InChIKeyHYCFZJMMLIZUCK-UHFFFAOYSA-N
XLogP3.26
TPSA100.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[1-[6-[4-(2-hydroxypropan-2-yl)-2-azabicyclo[2.1.1]hexan-2-yl]-2-(methoxymethyl)pyrimidin-4-yl]indazol-6-yl]cyclopropane-1-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[6-[4-(2-hydroxypropan-2-yl)-2-azabicyclo[2.1.1]hexan-2-yl]-2-(methoxymethyl)pyrimidin-4-yl]indazol-6-yl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[1-[6-[4-(2-hydroxypropan-2-yl)-2-azabicyclo[2.1.1]hexan-2-yl]-2-(methoxymethyl)pyrimidin-4-yl]indazol-6-yl]cyclopropane-1-carbonitrile (CID 138550416) is 1-[1-[6-[4-(2-hydroxypropan-2-yl)-2-azabicyclo[2.1.1]hexan-2-yl]-2-(methoxymethyl)pyrimidin-4-yl]indazol-6-yl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[1-[6-[4-(2-hydroxypropan-2-yl)-2-azabicyclo[2.1.1]hexan-2-yl]-2-(methoxymethyl)pyrimidin-4-yl]indazol-6-yl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[1-[6-[4-(2-hydroxypropan-2-yl)-2-azabicyclo[2.1.1]hexan-2-yl]-2-(methoxymethyl)pyrimidin-4-yl]indazol-6-yl]cyclopropane-1-carbonitrile is COCc1nc(N2CC3(C(C)(C)O)CC2C3)cc(-n2ncc3ccc(C4(C#N)CC4)cc32)n1.
What is the InChIKey of 1-[1-[6-[4-(2-hydroxypropan-2-yl)-2-azabicyclo[2.1.1]hexan-2-yl]-2-(methoxymethyl)pyrimidin-4-yl]indazol-6-yl]cyclopropane-1-carbonitrile?
The InChIKey is HYCFZJMMLIZUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2/c1-23(2,32)25-10-18(11-25)30(15-25)21-9-22(29-20(28-21)13-33-3)31-19-8-17(24(14-26)6-7-24)5-4-16(19)12-27-31/h4-5,8-9,12,18,32H,6-7,10-11,13,15H2,1-3H3.
What are the key properties of 1-[1-[6-[4-(2-hydroxypropan-2-yl)-2-azabicyclo[2.1.1]hexan-2-yl]-2-(methoxymethyl)pyrimidin-4-yl]indazol-6-yl]cyclopropane-1-carbonitrile?
1-[1-[6-[4-(2-hydroxypropan-2-yl)-2-azabicyclo[2.1.1]hexan-2-yl]-2-(methoxymethyl)pyrimidin-4-yl]indazol-6-yl]cyclopropane-1-carbonitrile has a molecular weight of 444.54 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[6-[4-(2-hydroxypropan-2-yl)-2-azabicyclo[2.1.1]hexan-2-yl]-2-(methoxymethyl)pyrimidin-4-yl]indazol-6-yl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 138550416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).