6-[[5-(2-methoxy-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]amino]-3,3-dimethyl-1H-indol-2-one

C21H19N7O2 — CID 68587582

IUPAC6-[[5-(2-methoxy-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]amino]-3,3-dimethyl-1H-indol-2-one
SMILESCOc1cc(-c2nccc3nc(Nc4ccc5c(c4)NC(=O)C5(C)C)nn23)ccn1
InChIInChI=1S/C21H19N7O2/c1-21(2)14-5-4-13(11-15(14)25-19(21)29)24-20-26-16-7-9-23-18(28(16)27-20)12-6-8-22-17(10-12)30-3/h4-11H,1-3H3,(H,24,27)(H,25,29)
InChIKeyJOHXTYMUYIUIKW-UHFFFAOYSA-N
MW401.43 g/mol
LogP3.17
Rot. Bonds4

About 6-[[5-(2-methoxy-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]amino]-3,3-dimethyl-1H-indol-2-one

6-[[5-(2-methoxy-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]amino]-3,3-dimethyl-1H-indol-2-one (PubChem CID 68587582) has the molecular formula C21H19N7O2 and a molecular weight of 401.43 g/mol. Its IUPAC name is 6-[[5-(2-methoxy-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]amino]-3,3-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name6-[[5-(2-methoxy-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]amino]-3,3-dimethyl-1H-indol-2-one
PubChem CID68587582
Molecular FormulaC21H19N7O2
Molecular Weight401.43 g/mol
Exact Mass401.16
IUPAC Name6-[[5-(2-methoxy-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]amino]-3,3-dimethyl-1H-indol-2-one
SMILESCOc1cc(-c2nccc3nc(Nc4ccc5c(c4)NC(=O)C5(C)C)nn23)ccn1
InChIInChI=1S/C21H19N7O2/c1-21(2)14-5-4-13(11-15(14)25-19(21)29)24-20-26-16-7-9-23-18(28(16)27-20)12-6-8-22-17(10-12)30-3/h4-11H,1-3H3,(H,24,27)(H,25,29)
InChIKeyJOHXTYMUYIUIKW-UHFFFAOYSA-N
XLogP3.17
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-(2-methoxy-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]amino]-3,3-dimethyl-1H-indol-2-one?
The IUPAC name of 6-[[5-(2-methoxy-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]amino]-3,3-dimethyl-1H-indol-2-one (CID 68587582) is 6-[[5-(2-methoxy-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]amino]-3,3-dimethyl-1H-indol-2-one.
What is the SMILES notation for 6-[[5-(2-methoxy-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]amino]-3,3-dimethyl-1H-indol-2-one?
The canonical SMILES for 6-[[5-(2-methoxy-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]amino]-3,3-dimethyl-1H-indol-2-one is COc1cc(-c2nccc3nc(Nc4ccc5c(c4)NC(=O)C5(C)C)nn23)ccn1.
What is the InChIKey of 6-[[5-(2-methoxy-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]amino]-3,3-dimethyl-1H-indol-2-one?
The InChIKey is JOHXTYMUYIUIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O2/c1-21(2)14-5-4-13(11-15(14)25-19(21)29)24-20-26-16-7-9-23-18(28(16)27-20)12-6-8-22-17(10-12)30-3/h4-11H,1-3H3,(H,24,27)(H,25,29).
What are the key properties of 6-[[5-(2-methoxy-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]amino]-3,3-dimethyl-1H-indol-2-one?
6-[[5-(2-methoxy-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]amino]-3,3-dimethyl-1H-indol-2-one has a molecular weight of 401.43 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(2-methoxy-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]amino]-3,3-dimethyl-1H-indol-2-one is sourced from PubChem (CID 68587582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).