6-(dimethylamino)-4-(methylaminomethyl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one

C21H26N8O — CID 146572046

IUPAC6-(dimethylamino)-4-(methylaminomethyl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCNCc1nc(N(C)C)cc2c1CN(c1cccc(-c3nncn3C(C)C)n1)C2=O
InChIInChI=1S/C21H26N8O/c1-13(2)29-12-23-26-20(29)16-7-6-8-18(24-16)28-11-15-14(21(28)30)9-19(27(4)5)25-17(15)10-22-3/h6-9,12-13,22H,10-11H2,1-5H3
InChIKeyYTUDJKCCACKHLG-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.26
Rot. Bonds6

About 6-(dimethylamino)-4-(methylaminomethyl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one

6-(dimethylamino)-4-(methylaminomethyl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 146572046) has the molecular formula C21H26N8O and a molecular weight of 406.49 g/mol. Its IUPAC name is 6-(dimethylamino)-4-(methylaminomethyl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name6-(dimethylamino)-4-(methylaminomethyl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID146572046
Molecular FormulaC21H26N8O
Molecular Weight406.49 g/mol
Exact Mass406.22
IUPAC Name6-(dimethylamino)-4-(methylaminomethyl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCNCc1nc(N(C)C)cc2c1CN(c1cccc(-c3nncn3C(C)C)n1)C2=O
InChIInChI=1S/C21H26N8O/c1-13(2)29-12-23-26-20(29)16-7-6-8-18(24-16)28-11-15-14(21(28)30)9-19(27(4)5)25-17(15)10-22-3/h6-9,12-13,22H,10-11H2,1-5H3
InChIKeyYTUDJKCCACKHLG-UHFFFAOYSA-N
XLogP2.26
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-(dimethylamino)-4-(methylaminomethyl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-4-(methylaminomethyl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 6-(dimethylamino)-4-(methylaminomethyl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one (CID 146572046) is 6-(dimethylamino)-4-(methylaminomethyl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 6-(dimethylamino)-4-(methylaminomethyl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 6-(dimethylamino)-4-(methylaminomethyl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one is CNCc1nc(N(C)C)cc2c1CN(c1cccc(-c3nncn3C(C)C)n1)C2=O.
What is the InChIKey of 6-(dimethylamino)-4-(methylaminomethyl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is YTUDJKCCACKHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N8O/c1-13(2)29-12-23-26-20(29)16-7-6-8-18(24-16)28-11-15-14(21(28)30)9-19(27(4)5)25-17(15)10-22-3/h6-9,12-13,22H,10-11H2,1-5H3.
What are the key properties of 6-(dimethylamino)-4-(methylaminomethyl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
6-(dimethylamino)-4-(methylaminomethyl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 406.49 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-4-(methylaminomethyl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 146572046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).