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

C24H30N8O — CID 146610506

IUPAC4-(aminomethyl)-6-(2,2-dimethylpyrrolidin-1-yl)-2-[6-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCCn1c(C)nnc1-c1cccc(N2Cc3c(cc(N4CCCC4(C)C)nc3CN)C2=O)n1
InChIInChI=1S/C24H30N8O/c1-5-30-15(2)28-29-22(30)18-8-6-9-20(26-18)31-14-17-16(23(31)33)12-21(27-19(17)13-25)32-11-7-10-24(32,3)4/h6,8-9,12H,5,7,10-11,13-14,25H2,1-4H3
InChIKeyDPUNKIDBCJVBSK-UHFFFAOYSA-N
MW446.56 g/mol
LogP3.06
Rot. Bonds5

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

4-(aminomethyl)-6-(2,2-dimethylpyrrolidin-1-yl)-2-[6-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 146610506) has the molecular formula C24H30N8O and a molecular weight of 446.56 g/mol. Its IUPAC name is 4-(aminomethyl)-6-(2,2-dimethylpyrrolidin-1-yl)-2-[6-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name4-(aminomethyl)-6-(2,2-dimethylpyrrolidin-1-yl)-2-[6-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID146610506
Molecular FormulaC24H30N8O
Molecular Weight446.56 g/mol
Exact Mass446.25
IUPAC Name4-(aminomethyl)-6-(2,2-dimethylpyrrolidin-1-yl)-2-[6-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCCn1c(C)nnc1-c1cccc(N2Cc3c(cc(N4CCCC4(C)C)nc3CN)C2=O)n1
InChIInChI=1S/C24H30N8O/c1-5-30-15(2)28-29-22(30)18-8-6-9-20(26-18)31-14-17-16(23(31)33)12-21(27-19(17)13-25)32-11-7-10-24(32,3)4/h6,8-9,12H,5,7,10-11,13-14,25H2,1-4H3
InChIKeyDPUNKIDBCJVBSK-UHFFFAOYSA-N
XLogP3.06
TPSA106.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(aminomethyl)-6-(2,2-dimethylpyrrolidin-1-yl)-2-[6-(4-ethyl-5-methyl-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 4-(aminomethyl)-6-(2,2-dimethylpyrrolidin-1-yl)-2-[6-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 4-(aminomethyl)-6-(2,2-dimethylpyrrolidin-1-yl)-2-[6-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one (CID 146610506) is 4-(aminomethyl)-6-(2,2-dimethylpyrrolidin-1-yl)-2-[6-(4-ethyl-5-methyl-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-(2,2-dimethylpyrrolidin-1-yl)-2-[6-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 4-(aminomethyl)-6-(2,2-dimethylpyrrolidin-1-yl)-2-[6-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one is CCn1c(C)nnc1-c1cccc(N2Cc3c(cc(N4CCCC4(C)C)nc3CN)C2=O)n1.
What is the InChIKey of 4-(aminomethyl)-6-(2,2-dimethylpyrrolidin-1-yl)-2-[6-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is DPUNKIDBCJVBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N8O/c1-5-30-15(2)28-29-22(30)18-8-6-9-20(26-18)31-14-17-16(23(31)33)12-21(27-19(17)13-25)32-11-7-10-24(32,3)4/h6,8-9,12H,5,7,10-11,13-14,25H2,1-4H3.
What are the key properties of 4-(aminomethyl)-6-(2,2-dimethylpyrrolidin-1-yl)-2-[6-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
4-(aminomethyl)-6-(2,2-dimethylpyrrolidin-1-yl)-2-[6-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 446.56 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-6-(2,2-dimethylpyrrolidin-1-yl)-2-[6-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 146610506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).