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

C24H29N7O2 — CID 146611899

IUPAC2-[6-[4-[(2S)-1-hydroxybutan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-4-(methylaminomethyl)-6-(1-methylcyclopropyl)-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCC[C@@H](CO)n1cnnc1-c1cccc(N2Cc3c(cc(C4(C)CC4)nc3CNC)C2=O)n1
InChIInChI=1S/C24H29N7O2/c1-4-15(13-32)31-14-26-29-22(31)18-6-5-7-21(28-18)30-12-17-16(23(30)33)10-20(24(2)8-9-24)27-19(17)11-25-3/h5-7,10,14-15,25,32H,4,8-9,11-13H2,1-3H3/t15-/m0/s1
InChIKeyNUWMZMVTZAVGLI-HNNXBMFYSA-N
MW447.54 g/mol
LogP2.61
Rot. Bonds8

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

2-[6-[4-[(2S)-1-hydroxybutan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-4-(methylaminomethyl)-6-(1-methylcyclopropyl)-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 146611899) has the molecular formula C24H29N7O2 and a molecular weight of 447.54 g/mol. Its IUPAC name is 2-[6-[4-[(2S)-1-hydroxybutan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-4-(methylaminomethyl)-6-(1-methylcyclopropyl)-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name2-[6-[4-[(2S)-1-hydroxybutan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-4-(methylaminomethyl)-6-(1-methylcyclopropyl)-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID146611899
Molecular FormulaC24H29N7O2
Molecular Weight447.54 g/mol
Exact Mass447.24
IUPAC Name2-[6-[4-[(2S)-1-hydroxybutan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-4-(methylaminomethyl)-6-(1-methylcyclopropyl)-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCC[C@@H](CO)n1cnnc1-c1cccc(N2Cc3c(cc(C4(C)CC4)nc3CNC)C2=O)n1
InChIInChI=1S/C24H29N7O2/c1-4-15(13-32)31-14-26-29-22(31)18-6-5-7-21(28-18)30-12-17-16(23(30)33)10-20(24(2)8-9-24)27-19(17)11-25-3/h5-7,10,14-15,25,32H,4,8-9,11-13H2,1-3H3/t15-/m0/s1
InChIKeyNUWMZMVTZAVGLI-HNNXBMFYSA-N
XLogP2.61
TPSA109.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[6-[4-[(2S)-1-hydroxybutan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-4-(methylaminomethyl)-6-(1-methylcyclopropyl)-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-[(2S)-1-hydroxybutan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-4-(methylaminomethyl)-6-(1-methylcyclopropyl)-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 2-[6-[4-[(2S)-1-hydroxybutan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-4-(methylaminomethyl)-6-(1-methylcyclopropyl)-3H-pyrrolo[3,4-c]pyridin-1-one (CID 146611899) is 2-[6-[4-[(2S)-1-hydroxybutan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-4-(methylaminomethyl)-6-(1-methylcyclopropyl)-3H-pyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 2-[6-[4-[(2S)-1-hydroxybutan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-4-(methylaminomethyl)-6-(1-methylcyclopropyl)-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 2-[6-[4-[(2S)-1-hydroxybutan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-4-(methylaminomethyl)-6-(1-methylcyclopropyl)-3H-pyrrolo[3,4-c]pyridin-1-one is CC[C@@H](CO)n1cnnc1-c1cccc(N2Cc3c(cc(C4(C)CC4)nc3CNC)C2=O)n1.
What is the InChIKey of 2-[6-[4-[(2S)-1-hydroxybutan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-4-(methylaminomethyl)-6-(1-methylcyclopropyl)-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is NUWMZMVTZAVGLI-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H29N7O2/c1-4-15(13-32)31-14-26-29-22(31)18-6-5-7-21(28-18)30-12-17-16(23(30)33)10-20(24(2)8-9-24)27-19(17)11-25-3/h5-7,10,14-15,25,32H,4,8-9,11-13H2,1-3H3/t15-/m0/s1.
What are the key properties of 2-[6-[4-[(2S)-1-hydroxybutan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-4-(methylaminomethyl)-6-(1-methylcyclopropyl)-3H-pyrrolo[3,4-c]pyridin-1-one?
2-[6-[4-[(2S)-1-hydroxybutan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-4-(methylaminomethyl)-6-(1-methylcyclopropyl)-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 447.54 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-[(2S)-1-hydroxybutan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-4-(methylaminomethyl)-6-(1-methylcyclopropyl)-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 146611899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).