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

C21H26N8O — CID 146572044

IUPAC6-(dimethylamino)-4-(methylaminomethyl)-2-[6-(4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCCCn1cnnc1-c1cccc(N2Cc3c(cc(N(C)C)nc3CNC)C2=O)n1
InChIInChI=1S/C21H26N8O/c1-5-9-28-13-23-26-20(28)16-7-6-8-18(24-16)29-12-15-14(21(29)30)10-19(27(3)4)25-17(15)11-22-2/h6-8,10,13,22H,5,9,11-12H2,1-4H3
InChIKeyXVKPIWUWUZOHIR-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.09
Rot. Bonds7

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

6-(dimethylamino)-4-(methylaminomethyl)-2-[6-(4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 146572044) 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-propyl-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-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID146572044
Molecular FormulaC21H26N8O
Molecular Weight406.49 g/mol
Exact Mass406.22
IUPAC Name6-(dimethylamino)-4-(methylaminomethyl)-2-[6-(4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCCCn1cnnc1-c1cccc(N2Cc3c(cc(N(C)C)nc3CNC)C2=O)n1
InChIInChI=1S/C21H26N8O/c1-5-9-28-13-23-26-20(28)16-7-6-8-18(24-16)29-12-15-14(21(29)30)10-19(27(3)4)25-17(15)11-22-2/h6-8,10,13,22H,5,9,11-12H2,1-4H3
InChIKeyXVKPIWUWUZOHIR-UHFFFAOYSA-N
XLogP2.09
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-4-(methylaminomethyl)-2-[6-(4-propyl-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-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one (CID 146572044) is 6-(dimethylamino)-4-(methylaminomethyl)-2-[6-(4-propyl-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-propyl-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-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one is CCCn1cnnc1-c1cccc(N2Cc3c(cc(N(C)C)nc3CNC)C2=O)n1.
What is the InChIKey of 6-(dimethylamino)-4-(methylaminomethyl)-2-[6-(4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is XVKPIWUWUZOHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N8O/c1-5-9-28-13-23-26-20(28)16-7-6-8-18(24-16)29-12-15-14(21(29)30)10-19(27(3)4)25-17(15)11-22-2/h6-8,10,13,22H,5,9,11-12H2,1-4H3.
What are the key properties of 6-(dimethylamino)-4-(methylaminomethyl)-2-[6-(4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
6-(dimethylamino)-4-(methylaminomethyl)-2-[6-(4-propyl-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 2.09, 7 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-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 146572044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).