4-(aminomethyl)-6-(diethylamino)-2-[6-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one

C23H30N8O — CID 146611061

IUPAC4-(aminomethyl)-6-(diethylamino)-2-[6-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCCCn1c(C)nnc1-c1cccc(N2Cc3c(cc(N(CC)CC)nc3CN)C2=O)n1
InChIInChI=1S/C23H30N8O/c1-5-11-30-15(4)27-28-22(30)18-9-8-10-20(25-18)31-14-17-16(23(31)32)12-21(26-19(17)13-24)29(6-2)7-3/h8-10,12H,5-7,11,13-14,24H2,1-4H3
InChIKeyPDCGBSBXVFRFPB-UHFFFAOYSA-N
MW434.55 g/mol
LogP2.92
Rot. Bonds8

About 4-(aminomethyl)-6-(diethylamino)-2-[6-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one

4-(aminomethyl)-6-(diethylamino)-2-[6-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 146611061) has the molecular formula C23H30N8O and a molecular weight of 434.55 g/mol. Its IUPAC name is 4-(aminomethyl)-6-(diethylamino)-2-[6-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name4-(aminomethyl)-6-(diethylamino)-2-[6-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID146611061
Molecular FormulaC23H30N8O
Molecular Weight434.55 g/mol
Exact Mass434.25
IUPAC Name4-(aminomethyl)-6-(diethylamino)-2-[6-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCCCn1c(C)nnc1-c1cccc(N2Cc3c(cc(N(CC)CC)nc3CN)C2=O)n1
InChIInChI=1S/C23H30N8O/c1-5-11-30-15(4)27-28-22(30)18-9-8-10-20(25-18)31-14-17-16(23(31)32)12-21(26-19(17)13-24)29(6-2)7-3/h8-10,12H,5-7,11,13-14,24H2,1-4H3
InChIKeyPDCGBSBXVFRFPB-UHFFFAOYSA-N
XLogP2.92
TPSA106.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.55
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-6-(diethylamino)-2-[6-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 4-(aminomethyl)-6-(diethylamino)-2-[6-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one (CID 146611061) is 4-(aminomethyl)-6-(diethylamino)-2-[6-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 4-(aminomethyl)-6-(diethylamino)-2-[6-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 4-(aminomethyl)-6-(diethylamino)-2-[6-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one is CCCn1c(C)nnc1-c1cccc(N2Cc3c(cc(N(CC)CC)nc3CN)C2=O)n1.
What is the InChIKey of 4-(aminomethyl)-6-(diethylamino)-2-[6-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is PDCGBSBXVFRFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N8O/c1-5-11-30-15(4)27-28-22(30)18-9-8-10-20(25-18)31-14-17-16(23(31)32)12-21(26-19(17)13-24)29(6-2)7-3/h8-10,12H,5-7,11,13-14,24H2,1-4H3.
What are the key properties of 4-(aminomethyl)-6-(diethylamino)-2-[6-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
4-(aminomethyl)-6-(diethylamino)-2-[6-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 434.55 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-6-(diethylamino)-2-[6-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 146611061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).