1,1,5'-trimethyl-2'-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]spiro[cyclohexane-4,7'-pyrrolo[3,2-d]pyrimidine]-6'-one

C21H25N7O — CID 167362923

IUPAC1,1,5'-trimethyl-2'-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]spiro[cyclohexane-4,7'-pyrrolo[3,2-d]pyrimidine]-6'-one
SMILESCc1cc2ncnn2cc1Nc1ncc2c(n1)C1(CCC(C)(C)CC1)C(=O)N2C
InChIInChI=1S/C21H25N7O/c1-13-9-16-23-12-24-28(16)11-14(13)25-19-22-10-15-17(26-19)21(18(29)27(15)4)7-5-20(2,3)6-8-21/h9-12H,5-8H2,1-4H3,(H,22,25,26)
InChIKeyDSFGOMGNQLGMTJ-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.39
Rot. Bonds2

About 1,1,5'-trimethyl-2'-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]spiro[cyclohexane-4,7'-pyrrolo[3,2-d]pyrimidine]-6'-one

1,1,5'-trimethyl-2'-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]spiro[cyclohexane-4,7'-pyrrolo[3,2-d]pyrimidine]-6'-one (PubChem CID 167362923) has the molecular formula C21H25N7O and a molecular weight of 391.48 g/mol. Its IUPAC name is 1,1,5'-trimethyl-2'-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]spiro[cyclohexane-4,7'-pyrrolo[3,2-d]pyrimidine]-6'-one.

Molecular Properties

Compound Name1,1,5'-trimethyl-2'-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]spiro[cyclohexane-4,7'-pyrrolo[3,2-d]pyrimidine]-6'-one
PubChem CID167362923
Molecular FormulaC21H25N7O
Molecular Weight391.48 g/mol
Exact Mass391.21
IUPAC Name1,1,5'-trimethyl-2'-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]spiro[cyclohexane-4,7'-pyrrolo[3,2-d]pyrimidine]-6'-one
SMILESCc1cc2ncnn2cc1Nc1ncc2c(n1)C1(CCC(C)(C)CC1)C(=O)N2C
InChIInChI=1S/C21H25N7O/c1-13-9-16-23-12-24-28(16)11-14(13)25-19-22-10-15-17(26-19)21(18(29)27(15)4)7-5-20(2,3)6-8-21/h9-12H,5-8H2,1-4H3,(H,22,25,26)
InChIKeyDSFGOMGNQLGMTJ-UHFFFAOYSA-N
XLogP3.39
TPSA88.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1,1,5'-trimethyl-2'-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]spiro[cyclohexane-4,7'-pyrrolo[3,2-d]pyrimidine]-6'-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,1,5'-trimethyl-2'-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]spiro[cyclohexane-4,7'-pyrrolo[3,2-d]pyrimidine]-6'-one?
The IUPAC name of 1,1,5'-trimethyl-2'-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]spiro[cyclohexane-4,7'-pyrrolo[3,2-d]pyrimidine]-6'-one (CID 167362923) is 1,1,5'-trimethyl-2'-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]spiro[cyclohexane-4,7'-pyrrolo[3,2-d]pyrimidine]-6'-one.
What is the SMILES notation for 1,1,5'-trimethyl-2'-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]spiro[cyclohexane-4,7'-pyrrolo[3,2-d]pyrimidine]-6'-one?
The canonical SMILES for 1,1,5'-trimethyl-2'-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]spiro[cyclohexane-4,7'-pyrrolo[3,2-d]pyrimidine]-6'-one is Cc1cc2ncnn2cc1Nc1ncc2c(n1)C1(CCC(C)(C)CC1)C(=O)N2C.
What is the InChIKey of 1,1,5'-trimethyl-2'-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]spiro[cyclohexane-4,7'-pyrrolo[3,2-d]pyrimidine]-6'-one?
The InChIKey is DSFGOMGNQLGMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O/c1-13-9-16-23-12-24-28(16)11-14(13)25-19-22-10-15-17(26-19)21(18(29)27(15)4)7-5-20(2,3)6-8-21/h9-12H,5-8H2,1-4H3,(H,22,25,26).
What are the key properties of 1,1,5'-trimethyl-2'-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]spiro[cyclohexane-4,7'-pyrrolo[3,2-d]pyrimidine]-6'-one?
1,1,5'-trimethyl-2'-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]spiro[cyclohexane-4,7'-pyrrolo[3,2-d]pyrimidine]-6'-one has a molecular weight of 391.48 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,5'-trimethyl-2'-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]spiro[cyclohexane-4,7'-pyrrolo[3,2-d]pyrimidine]-6'-one is sourced from PubChem (CID 167362923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).