4-(2-aminopropan-2-yl)-2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(2-methylpyrrolidin-1-yl)-3H-pyrrolo[3,4-c]pyridin-1-one

C24H30N8O — CID 166824238

IUPAC4-(2-aminopropan-2-yl)-2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(2-methylpyrrolidin-1-yl)-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCCn1cnnc1-c1cccc(N2Cc3c(cc(N4CCCC4C)nc3C(C)(C)N)C2=O)n1
InChIInChI=1S/C24H30N8O/c1-5-30-14-26-29-22(30)18-9-6-10-19(27-18)32-13-17-16(23(32)33)12-20(28-21(17)24(3,4)25)31-11-7-8-15(31)2/h6,9-10,12,14-15H,5,7-8,11,13,25H2,1-4H3
InChIKeyYEOMJKKERMIQSA-UHFFFAOYSA-N
MW446.56 g/mol
LogP3.10
Rot. Bonds5

About 4-(2-aminopropan-2-yl)-2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(2-methylpyrrolidin-1-yl)-3H-pyrrolo[3,4-c]pyridin-1-one

4-(2-aminopropan-2-yl)-2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(2-methylpyrrolidin-1-yl)-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 166824238) has the molecular formula C24H30N8O and a molecular weight of 446.56 g/mol. Its IUPAC name is 4-(2-aminopropan-2-yl)-2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(2-methylpyrrolidin-1-yl)-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name4-(2-aminopropan-2-yl)-2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(2-methylpyrrolidin-1-yl)-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID166824238
Molecular FormulaC24H30N8O
Molecular Weight446.56 g/mol
Exact Mass446.25
IUPAC Name4-(2-aminopropan-2-yl)-2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(2-methylpyrrolidin-1-yl)-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCCn1cnnc1-c1cccc(N2Cc3c(cc(N4CCCC4C)nc3C(C)(C)N)C2=O)n1
InChIInChI=1S/C24H30N8O/c1-5-30-14-26-29-22(30)18-9-6-10-19(27-18)32-13-17-16(23(32)33)12-20(28-21(17)24(3,4)25)31-11-7-8-15(31)2/h6,9-10,12,14-15H,5,7-8,11,13,25H2,1-4H3
InChIKeyYEOMJKKERMIQSA-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(2-aminopropan-2-yl)-2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(2-methylpyrrolidin-1-yl)-3H-pyrrolo[3,4-c]pyridin-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropan-2-yl)-2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(2-methylpyrrolidin-1-yl)-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 4-(2-aminopropan-2-yl)-2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(2-methylpyrrolidin-1-yl)-3H-pyrrolo[3,4-c]pyridin-1-one (CID 166824238) is 4-(2-aminopropan-2-yl)-2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(2-methylpyrrolidin-1-yl)-3H-pyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 4-(2-aminopropan-2-yl)-2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(2-methylpyrrolidin-1-yl)-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 4-(2-aminopropan-2-yl)-2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(2-methylpyrrolidin-1-yl)-3H-pyrrolo[3,4-c]pyridin-1-one is CCn1cnnc1-c1cccc(N2Cc3c(cc(N4CCCC4C)nc3C(C)(C)N)C2=O)n1.
What is the InChIKey of 4-(2-aminopropan-2-yl)-2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(2-methylpyrrolidin-1-yl)-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is YEOMJKKERMIQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N8O/c1-5-30-14-26-29-22(30)18-9-6-10-19(27-18)32-13-17-16(23(32)33)12-20(28-21(17)24(3,4)25)31-11-7-8-15(31)2/h6,9-10,12,14-15H,5,7-8,11,13,25H2,1-4H3.
What are the key properties of 4-(2-aminopropan-2-yl)-2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(2-methylpyrrolidin-1-yl)-3H-pyrrolo[3,4-c]pyridin-1-one?
4-(2-aminopropan-2-yl)-2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(2-methylpyrrolidin-1-yl)-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 446.56 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropan-2-yl)-2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(2-methylpyrrolidin-1-yl)-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 166824238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).