6-(1-methylcyclopropyl)-2-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one

C22H22N6O — CID 175852255

IUPAC6-(1-methylcyclopropyl)-2-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESC[C@H]1CCc2nnc(-c3cccc(N4Cc5cnc(C6(C)CC6)cc5C4=O)n3)n21
InChIInChI=1S/C22H22N6O/c1-13-6-7-19-25-26-20(28(13)19)16-4-3-5-18(24-16)27-12-14-11-23-17(22(2)8-9-22)10-15(14)21(27)29/h3-5,10-11,13H,6-9,12H2,1-2H3/t13-/m0/s1
InChIKeyDXEMTEBDXCZTES-ZDUSSCGKSA-N
MW386.46 g/mol
LogP3.45
Rot. Bonds3

About 6-(1-methylcyclopropyl)-2-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one

6-(1-methylcyclopropyl)-2-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 175852255) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is 6-(1-methylcyclopropyl)-2-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name6-(1-methylcyclopropyl)-2-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID175852255
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Name6-(1-methylcyclopropyl)-2-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESC[C@H]1CCc2nnc(-c3cccc(N4Cc5cnc(C6(C)CC6)cc5C4=O)n3)n21
InChIInChI=1S/C22H22N6O/c1-13-6-7-19-25-26-20(28(13)19)16-4-3-5-18(24-16)27-12-14-11-23-17(22(2)8-9-22)10-15(14)21(27)29/h3-5,10-11,13H,6-9,12H2,1-2H3/t13-/m0/s1
InChIKeyDXEMTEBDXCZTES-ZDUSSCGKSA-N
XLogP3.45
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(1-methylcyclopropyl)-2-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][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 6-(1-methylcyclopropyl)-2-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 6-(1-methylcyclopropyl)-2-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one (CID 175852255) is 6-(1-methylcyclopropyl)-2-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 6-(1-methylcyclopropyl)-2-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 6-(1-methylcyclopropyl)-2-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one is C[C@H]1CCc2nnc(-c3cccc(N4Cc5cnc(C6(C)CC6)cc5C4=O)n3)n21.
What is the InChIKey of 6-(1-methylcyclopropyl)-2-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is DXEMTEBDXCZTES-ZDUSSCGKSA-N. The full InChI is InChI=1S/C22H22N6O/c1-13-6-7-19-25-26-20(28(13)19)16-4-3-5-18(24-16)27-12-14-11-23-17(22(2)8-9-22)10-15(14)21(27)29/h3-5,10-11,13H,6-9,12H2,1-2H3/t13-/m0/s1.
What are the key properties of 6-(1-methylcyclopropyl)-2-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
6-(1-methylcyclopropyl)-2-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 386.46 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylcyclopropyl)-2-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 175852255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).