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

C24H30N8O — CID 157026830

IUPAC4-[(1R)-1-aminopropyl]-2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[(2R)-2-methylpyrrolidin-1-yl]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCC[C@@H](N)c1nc(N2CCC[C@H]2C)cc2c1CN(c1cccc(-c3nncn3CC)n1)C2=O
InChIInChI=1S/C24H30N8O/c1-4-18(25)22-17-13-32(20-10-6-9-19(27-20)23-29-26-14-30(23)5-2)24(33)16(17)12-21(28-22)31-11-7-8-15(31)3/h6,9-10,12,14-15,18H,4-5,7-8,11,13,25H2,1-3H3/t15-,18-/m1/s1
InChIKeyNCQFHHKUDVWWKK-CRAIPNDOSA-N
MW446.56 g/mol
LogP3.31
Rot. Bonds6

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

4-[(1R)-1-aminopropyl]-2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[(2R)-2-methylpyrrolidin-1-yl]-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 157026830) has the molecular formula C24H30N8O and a molecular weight of 446.56 g/mol. Its IUPAC name is 4-[(1R)-1-aminopropyl]-2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[(2R)-2-methylpyrrolidin-1-yl]-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name4-[(1R)-1-aminopropyl]-2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[(2R)-2-methylpyrrolidin-1-yl]-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID157026830
Molecular FormulaC24H30N8O
Molecular Weight446.56 g/mol
Exact Mass446.25
IUPAC Name4-[(1R)-1-aminopropyl]-2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[(2R)-2-methylpyrrolidin-1-yl]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCC[C@@H](N)c1nc(N2CCC[C@H]2C)cc2c1CN(c1cccc(-c3nncn3CC)n1)C2=O
InChIInChI=1S/C24H30N8O/c1-4-18(25)22-17-13-32(20-10-6-9-19(27-20)23-29-26-14-30(23)5-2)24(33)16(17)12-21(28-22)31-11-7-8-15(31)3/h6,9-10,12,14-15,18H,4-5,7-8,11,13,25H2,1-3H3/t15-,18-/m1/s1
InChIKeyNCQFHHKUDVWWKK-CRAIPNDOSA-N
XLogP3.31
TPSA106.06 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 ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[(1R)-1-aminopropyl]-2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-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 4-[(1R)-1-aminopropyl]-2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[(2R)-2-methylpyrrolidin-1-yl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 4-[(1R)-1-aminopropyl]-2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[(2R)-2-methylpyrrolidin-1-yl]-3H-pyrrolo[3,4-c]pyridin-1-one (CID 157026830) is 4-[(1R)-1-aminopropyl]-2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[(2R)-2-methylpyrrolidin-1-yl]-3H-pyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 4-[(1R)-1-aminopropyl]-2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[(2R)-2-methylpyrrolidin-1-yl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 4-[(1R)-1-aminopropyl]-2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[(2R)-2-methylpyrrolidin-1-yl]-3H-pyrrolo[3,4-c]pyridin-1-one is CC[C@@H](N)c1nc(N2CCC[C@H]2C)cc2c1CN(c1cccc(-c3nncn3CC)n1)C2=O.
What is the InChIKey of 4-[(1R)-1-aminopropyl]-2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[(2R)-2-methylpyrrolidin-1-yl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is NCQFHHKUDVWWKK-CRAIPNDOSA-N. The full InChI is InChI=1S/C24H30N8O/c1-4-18(25)22-17-13-32(20-10-6-9-19(27-20)23-29-26-14-30(23)5-2)24(33)16(17)12-21(28-22)31-11-7-8-15(31)3/h6,9-10,12,14-15,18H,4-5,7-8,11,13,25H2,1-3H3/t15-,18-/m1/s1.
What are the key properties of 4-[(1R)-1-aminopropyl]-2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[(2R)-2-methylpyrrolidin-1-yl]-3H-pyrrolo[3,4-c]pyridin-1-one?
4-[(1R)-1-aminopropyl]-2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-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 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-aminopropyl]-2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[(2R)-2-methylpyrrolidin-1-yl]-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 157026830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).