5-[2-[(1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)-methylamino]-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]-2-methylindazole-7-carbonitrile

C24H26N8S — CID 156757731

IUPAC5-[2-[(1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)-methylamino]-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]-2-methylindazole-7-carbonitrile
SMILESCN(c1nc2nc(-c3cc(C#N)c4nn(C)cc4c3)ncc2s1)C1CC2(C)CCC(C)(C1)N2
InChIInChI=1S/C24H26N8S/c1-23-5-6-24(2,30-23)10-17(9-23)32(4)22-28-21-18(33-22)12-26-20(27-21)14-7-15(11-25)19-16(8-14)13-31(3)29-19/h7-8,12-13,17,30H,5-6,9-10H2,1-4H3
InChIKeyFYTNISWWVXVPMY-UHFFFAOYSA-N
MW458.60 g/mol
LogP4.01
Rot. Bonds3

About 5-[2-[(1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)-methylamino]-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]-2-methylindazole-7-carbonitrile

5-[2-[(1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)-methylamino]-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]-2-methylindazole-7-carbonitrile (PubChem CID 156757731) has the molecular formula C24H26N8S and a molecular weight of 458.60 g/mol. Its IUPAC name is 5-[2-[(1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)-methylamino]-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]-2-methylindazole-7-carbonitrile.

Molecular Properties

Compound Name5-[2-[(1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)-methylamino]-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]-2-methylindazole-7-carbonitrile
PubChem CID156757731
Molecular FormulaC24H26N8S
Molecular Weight458.60 g/mol
Exact Mass458.20
IUPAC Name5-[2-[(1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)-methylamino]-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]-2-methylindazole-7-carbonitrile
SMILESCN(c1nc2nc(-c3cc(C#N)c4nn(C)cc4c3)ncc2s1)C1CC2(C)CCC(C)(C1)N2
InChIInChI=1S/C24H26N8S/c1-23-5-6-24(2,30-23)10-17(9-23)32(4)22-28-21-18(33-22)12-26-20(27-21)14-7-15(11-25)19-16(8-14)13-31(3)29-19/h7-8,12-13,17,30H,5-6,9-10H2,1-4H3
InChIKeyFYTNISWWVXVPMY-UHFFFAOYSA-N
XLogP4.01
TPSA95.55 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.60
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[2-[(1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)-methylamino]-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]-2-methylindazole-7-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)-methylamino]-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]-2-methylindazole-7-carbonitrile?
The IUPAC name of 5-[2-[(1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)-methylamino]-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]-2-methylindazole-7-carbonitrile (CID 156757731) is 5-[2-[(1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)-methylamino]-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]-2-methylindazole-7-carbonitrile.
What is the SMILES notation for 5-[2-[(1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)-methylamino]-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]-2-methylindazole-7-carbonitrile?
The canonical SMILES for 5-[2-[(1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)-methylamino]-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]-2-methylindazole-7-carbonitrile is CN(c1nc2nc(-c3cc(C#N)c4nn(C)cc4c3)ncc2s1)C1CC2(C)CCC(C)(C1)N2.
What is the InChIKey of 5-[2-[(1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)-methylamino]-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]-2-methylindazole-7-carbonitrile?
The InChIKey is FYTNISWWVXVPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8S/c1-23-5-6-24(2,30-23)10-17(9-23)32(4)22-28-21-18(33-22)12-26-20(27-21)14-7-15(11-25)19-16(8-14)13-31(3)29-19/h7-8,12-13,17,30H,5-6,9-10H2,1-4H3.
What are the key properties of 5-[2-[(1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)-methylamino]-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]-2-methylindazole-7-carbonitrile?
5-[2-[(1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)-methylamino]-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]-2-methylindazole-7-carbonitrile has a molecular weight of 458.60 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)-methylamino]-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]-2-methylindazole-7-carbonitrile is sourced from PubChem (CID 156757731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).