3-(1,3-dimethylindazol-5-yl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C27H31N9O — CID 135356739

IUPAC3-(1,3-dimethylindazol-5-yl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(CNc2cc(N3CC4(COC4)C3)nc3c(-c4ccc5c(c4)c(C)nn5C)c(C)nn23)n(C)n1
InChIInChI=1S/C27H31N9O/c1-16-8-20(33(4)30-16)11-28-23-10-24(35-12-27(13-35)14-37-15-27)29-26-25(18(3)32-36(23)26)19-6-7-22-21(9-19)17(2)31-34(22)5/h6-10,28H,11-15H2,1-5H3
InChIKeyDPEDYFBGTBKCCP-UHFFFAOYSA-N
MW497.61 g/mol
LogP3.39
Rot. Bonds5

About 3-(1,3-dimethylindazol-5-yl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazolo[1,5-a]pyrimidin-7-amine

3-(1,3-dimethylindazol-5-yl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 135356739) has the molecular formula C27H31N9O and a molecular weight of 497.61 g/mol. Its IUPAC name is 3-(1,3-dimethylindazol-5-yl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(1,3-dimethylindazol-5-yl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID135356739
Molecular FormulaC27H31N9O
Molecular Weight497.61 g/mol
Exact Mass497.27
IUPAC Name3-(1,3-dimethylindazol-5-yl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(CNc2cc(N3CC4(COC4)C3)nc3c(-c4ccc5c(c4)c(C)nn5C)c(C)nn23)n(C)n1
InChIInChI=1S/C27H31N9O/c1-16-8-20(33(4)30-16)11-28-23-10-24(35-12-27(13-35)14-37-15-27)29-26-25(18(3)32-36(23)26)19-6-7-22-21(9-19)17(2)31-34(22)5/h6-10,28H,11-15H2,1-5H3
InChIKeyDPEDYFBGTBKCCP-UHFFFAOYSA-N
XLogP3.39
TPSA90.33 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.61
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 3-(1,3-dimethylindazol-5-yl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethylindazol-5-yl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-(1,3-dimethylindazol-5-yl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 135356739) is 3-(1,3-dimethylindazol-5-yl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(1,3-dimethylindazol-5-yl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-(1,3-dimethylindazol-5-yl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(CNc2cc(N3CC4(COC4)C3)nc3c(-c4ccc5c(c4)c(C)nn5C)c(C)nn23)n(C)n1.
What is the InChIKey of 3-(1,3-dimethylindazol-5-yl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is DPEDYFBGTBKCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N9O/c1-16-8-20(33(4)30-16)11-28-23-10-24(35-12-27(13-35)14-37-15-27)29-26-25(18(3)32-36(23)26)19-6-7-22-21(9-19)17(2)31-34(22)5/h6-10,28H,11-15H2,1-5H3.
What are the key properties of 3-(1,3-dimethylindazol-5-yl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
3-(1,3-dimethylindazol-5-yl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 497.61 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethylindazol-5-yl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 135356739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).