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

C24H30N8O — CID 166500829

IUPAC2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-[(1S)-1-(methylamino)ethyl]-6-[(2R)-2-methylpyrrolidin-1-yl]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCCn1cnnc1-c1cccc(N2Cc3c(cc(N4CCC[C@H]4C)nc3[C@H](C)NC)C2=O)n1
InChIInChI=1S/C24H30N8O/c1-5-30-14-26-29-23(30)19-9-6-10-20(27-19)32-13-18-17(24(32)33)12-21(28-22(18)16(3)25-4)31-11-7-8-15(31)2/h6,9-10,12,14-16,25H,5,7-8,11,13H2,1-4H3/t15-,16+/m1/s1
InChIKeyYFBLVBRSDRYEMQ-CVEARBPZSA-N
MW446.56 g/mol
LogP3.18
Rot. Bonds6

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

2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-[(1S)-1-(methylamino)ethyl]-6-[(2R)-2-methylpyrrolidin-1-yl]-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 166500829) has the molecular formula C24H30N8O and a molecular weight of 446.56 g/mol. Its IUPAC name is 2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-[(1S)-1-(methylamino)ethyl]-6-[(2R)-2-methylpyrrolidin-1-yl]-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-[(1S)-1-(methylamino)ethyl]-6-[(2R)-2-methylpyrrolidin-1-yl]-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID166500829
Molecular FormulaC24H30N8O
Molecular Weight446.56 g/mol
Exact Mass446.25
IUPAC Name2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-[(1S)-1-(methylamino)ethyl]-6-[(2R)-2-methylpyrrolidin-1-yl]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCCn1cnnc1-c1cccc(N2Cc3c(cc(N4CCC[C@H]4C)nc3[C@H](C)NC)C2=O)n1
InChIInChI=1S/C24H30N8O/c1-5-30-14-26-29-23(30)19-9-6-10-20(27-19)32-13-18-17(24(32)33)12-21(28-22(18)16(3)25-4)31-11-7-8-15(31)2/h6,9-10,12,14-16,25H,5,7-8,11,13H2,1-4H3/t15-,16+/m1/s1
InChIKeyYFBLVBRSDRYEMQ-CVEARBPZSA-N
XLogP3.18
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-[(1S)-1-(methylamino)ethyl]-6-[(2R)-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 2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-[(1S)-1-(methylamino)ethyl]-6-[(2R)-2-methylpyrrolidin-1-yl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-[(1S)-1-(methylamino)ethyl]-6-[(2R)-2-methylpyrrolidin-1-yl]-3H-pyrrolo[3,4-c]pyridin-1-one (CID 166500829) is 2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-[(1S)-1-(methylamino)ethyl]-6-[(2R)-2-methylpyrrolidin-1-yl]-3H-pyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-[(1S)-1-(methylamino)ethyl]-6-[(2R)-2-methylpyrrolidin-1-yl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-[(1S)-1-(methylamino)ethyl]-6-[(2R)-2-methylpyrrolidin-1-yl]-3H-pyrrolo[3,4-c]pyridin-1-one is CCn1cnnc1-c1cccc(N2Cc3c(cc(N4CCC[C@H]4C)nc3[C@H](C)NC)C2=O)n1.
What is the InChIKey of 2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-[(1S)-1-(methylamino)ethyl]-6-[(2R)-2-methylpyrrolidin-1-yl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is YFBLVBRSDRYEMQ-CVEARBPZSA-N. The full InChI is InChI=1S/C24H30N8O/c1-5-30-14-26-29-23(30)19-9-6-10-20(27-19)32-13-18-17(24(32)33)12-21(28-22(18)16(3)25-4)31-11-7-8-15(31)2/h6,9-10,12,14-16,25H,5,7-8,11,13H2,1-4H3/t15-,16+/m1/s1.
What are the key properties of 2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-[(1S)-1-(methylamino)ethyl]-6-[(2R)-2-methylpyrrolidin-1-yl]-3H-pyrrolo[3,4-c]pyridin-1-one?
2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-[(1S)-1-(methylamino)ethyl]-6-[(2R)-2-methylpyrrolidin-1-yl]-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 446.56 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-[(1S)-1-(methylamino)ethyl]-6-[(2R)-2-methylpyrrolidin-1-yl]-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 166500829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).