6-(7-azabicyclo[2.2.1]heptan-7-yl)-4-(methylaminomethyl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one

C25H30N8O — CID 146593123

IUPAC6-(7-azabicyclo[2.2.1]heptan-7-yl)-4-(methylaminomethyl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCNCc1nc(N2C3CCC2CC3)cc2c1CN(c1cccc(-c3nncn3C(C)C)n1)C2=O
InChIInChI=1S/C25H30N8O/c1-15(2)32-14-27-30-24(32)20-5-4-6-22(28-20)31-13-19-18(25(31)34)11-23(29-21(19)12-26-3)33-16-7-8-17(33)10-9-16/h4-6,11,14-17,26H,7-10,12-13H2,1-3H3
InChIKeyKAFSSLFMPKEPEK-UHFFFAOYSA-N
MW458.57 g/mol
LogP3.33
Rot. Bonds6

About 6-(7-azabicyclo[2.2.1]heptan-7-yl)-4-(methylaminomethyl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one

6-(7-azabicyclo[2.2.1]heptan-7-yl)-4-(methylaminomethyl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 146593123) has the molecular formula C25H30N8O and a molecular weight of 458.57 g/mol. Its IUPAC name is 6-(7-azabicyclo[2.2.1]heptan-7-yl)-4-(methylaminomethyl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name6-(7-azabicyclo[2.2.1]heptan-7-yl)-4-(methylaminomethyl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID146593123
Molecular FormulaC25H30N8O
Molecular Weight458.57 g/mol
Exact Mass458.25
IUPAC Name6-(7-azabicyclo[2.2.1]heptan-7-yl)-4-(methylaminomethyl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCNCc1nc(N2C3CCC2CC3)cc2c1CN(c1cccc(-c3nncn3C(C)C)n1)C2=O
InChIInChI=1S/C25H30N8O/c1-15(2)32-14-27-30-24(32)20-5-4-6-22(28-20)31-13-19-18(25(31)34)11-23(29-21(19)12-26-3)33-16-7-8-17(33)10-9-16/h4-6,11,14-17,26H,7-10,12-13H2,1-3H3
InChIKeyKAFSSLFMPKEPEK-UHFFFAOYSA-N
XLogP3.33
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-(7-azabicyclo[2.2.1]heptan-7-yl)-4-(methylaminomethyl)-2-[6-(4-propan-2-yl-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-(7-azabicyclo[2.2.1]heptan-7-yl)-4-(methylaminomethyl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 6-(7-azabicyclo[2.2.1]heptan-7-yl)-4-(methylaminomethyl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one (CID 146593123) is 6-(7-azabicyclo[2.2.1]heptan-7-yl)-4-(methylaminomethyl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 6-(7-azabicyclo[2.2.1]heptan-7-yl)-4-(methylaminomethyl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 6-(7-azabicyclo[2.2.1]heptan-7-yl)-4-(methylaminomethyl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one is CNCc1nc(N2C3CCC2CC3)cc2c1CN(c1cccc(-c3nncn3C(C)C)n1)C2=O.
What is the InChIKey of 6-(7-azabicyclo[2.2.1]heptan-7-yl)-4-(methylaminomethyl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is KAFSSLFMPKEPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N8O/c1-15(2)32-14-27-30-24(32)20-5-4-6-22(28-20)31-13-19-18(25(31)34)11-23(29-21(19)12-26-3)33-16-7-8-17(33)10-9-16/h4-6,11,14-17,26H,7-10,12-13H2,1-3H3.
What are the key properties of 6-(7-azabicyclo[2.2.1]heptan-7-yl)-4-(methylaminomethyl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
6-(7-azabicyclo[2.2.1]heptan-7-yl)-4-(methylaminomethyl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 458.57 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-azabicyclo[2.2.1]heptan-7-yl)-4-(methylaminomethyl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 146593123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).