5,7-dimethyl-N-(6-methylindolo[1,2-c]quinazolin-12-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C24H19N7O — CID 31302853

IUPAC5,7-dimethyl-N-(6-methylindolo[1,2-c]quinazolin-12-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)Nc3c4ccccc4n4c(C)nc5ccccc5c34)nc2n1
InChIInChI=1S/C24H19N7O/c1-13-12-14(2)31-24(25-13)28-22(29-31)23(32)27-20-17-9-5-7-11-19(17)30-15(3)26-18-10-6-4-8-16(18)21(20)30/h4-12H,1-3H3,(H,27,32)
InChIKeyNBPHKHLPRHKSSG-UHFFFAOYSA-N
MW421.46 g/mol
LogP4.26
Rot. Bonds2

About 5,7-dimethyl-N-(6-methylindolo[1,2-c]quinazolin-12-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

5,7-dimethyl-N-(6-methylindolo[1,2-c]quinazolin-12-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 31302853) has the molecular formula C24H19N7O and a molecular weight of 421.46 g/mol. Its IUPAC name is 5,7-dimethyl-N-(6-methylindolo[1,2-c]quinazolin-12-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5,7-dimethyl-N-(6-methylindolo[1,2-c]quinazolin-12-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID31302853
Molecular FormulaC24H19N7O
Molecular Weight421.46 g/mol
Exact Mass421.17
IUPAC Name5,7-dimethyl-N-(6-methylindolo[1,2-c]quinazolin-12-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)Nc3c4ccccc4n4c(C)nc5ccccc5c34)nc2n1
InChIInChI=1S/C24H19N7O/c1-13-12-14(2)31-24(25-13)28-22(29-31)23(32)27-20-17-9-5-7-11-19(17)30-15(3)26-18-10-6-4-8-16(18)21(20)30/h4-12H,1-3H3,(H,27,32)
InChIKeyNBPHKHLPRHKSSG-UHFFFAOYSA-N
XLogP4.26
TPSA89.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-N-(6-methylindolo[1,2-c]quinazolin-12-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5,7-dimethyl-N-(6-methylindolo[1,2-c]quinazolin-12-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 31302853) is 5,7-dimethyl-N-(6-methylindolo[1,2-c]quinazolin-12-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5,7-dimethyl-N-(6-methylindolo[1,2-c]quinazolin-12-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5,7-dimethyl-N-(6-methylindolo[1,2-c]quinazolin-12-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C)n2nc(C(=O)Nc3c4ccccc4n4c(C)nc5ccccc5c34)nc2n1.
What is the InChIKey of 5,7-dimethyl-N-(6-methylindolo[1,2-c]quinazolin-12-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is NBPHKHLPRHKSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N7O/c1-13-12-14(2)31-24(25-13)28-22(29-31)23(32)27-20-17-9-5-7-11-19(17)30-15(3)26-18-10-6-4-8-16(18)21(20)30/h4-12H,1-3H3,(H,27,32).
What are the key properties of 5,7-dimethyl-N-(6-methylindolo[1,2-c]quinazolin-12-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
5,7-dimethyl-N-(6-methylindolo[1,2-c]quinazolin-12-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 421.46 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-N-(6-methylindolo[1,2-c]quinazolin-12-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 31302853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).