6-(dimethylamino)-2-[5-fluoro-6-(5-propan-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]-4-(methylaminomethyl)-3H-pyrrolo[3,4-c]pyridin-1-one

C22H26FN7O — CID 146593069

IUPAC6-(dimethylamino)-2-[5-fluoro-6-(5-propan-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]-4-(methylaminomethyl)-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCNCc1nc(N(C)C)cc2c1CN(c1ccc(F)c(-c3cn[nH]c3C(C)C)n1)C2=O
InChIInChI=1S/C22H26FN7O/c1-12(2)20-14(9-25-28-20)21-16(23)6-7-18(27-21)30-11-15-13(22(30)31)8-19(29(4)5)26-17(15)10-24-3/h6-9,12,24H,10-11H2,1-5H3,(H,25,28)
InChIKeyQMZBPBDDMSTECP-UHFFFAOYSA-N
MW423.50 g/mol
LogP3.08
Rot. Bonds6

About 6-(dimethylamino)-2-[5-fluoro-6-(5-propan-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]-4-(methylaminomethyl)-3H-pyrrolo[3,4-c]pyridin-1-one

6-(dimethylamino)-2-[5-fluoro-6-(5-propan-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]-4-(methylaminomethyl)-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 146593069) has the molecular formula C22H26FN7O and a molecular weight of 423.50 g/mol. Its IUPAC name is 6-(dimethylamino)-2-[5-fluoro-6-(5-propan-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]-4-(methylaminomethyl)-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name6-(dimethylamino)-2-[5-fluoro-6-(5-propan-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]-4-(methylaminomethyl)-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID146593069
Molecular FormulaC22H26FN7O
Molecular Weight423.50 g/mol
Exact Mass423.22
IUPAC Name6-(dimethylamino)-2-[5-fluoro-6-(5-propan-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]-4-(methylaminomethyl)-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCNCc1nc(N(C)C)cc2c1CN(c1ccc(F)c(-c3cn[nH]c3C(C)C)n1)C2=O
InChIInChI=1S/C22H26FN7O/c1-12(2)20-14(9-25-28-20)21-16(23)6-7-18(27-21)30-11-15-13(22(30)31)8-19(29(4)5)26-17(15)10-24-3/h6-9,12,24H,10-11H2,1-5H3,(H,25,28)
InChIKeyQMZBPBDDMSTECP-UHFFFAOYSA-N
XLogP3.08
TPSA90.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.50
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(dimethylamino)-2-[5-fluoro-6-(5-propan-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]-4-(methylaminomethyl)-3H-pyrrolo[3,4-c]pyridin-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-2-[5-fluoro-6-(5-propan-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]-4-(methylaminomethyl)-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 6-(dimethylamino)-2-[5-fluoro-6-(5-propan-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]-4-(methylaminomethyl)-3H-pyrrolo[3,4-c]pyridin-1-one (CID 146593069) is 6-(dimethylamino)-2-[5-fluoro-6-(5-propan-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]-4-(methylaminomethyl)-3H-pyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 6-(dimethylamino)-2-[5-fluoro-6-(5-propan-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]-4-(methylaminomethyl)-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 6-(dimethylamino)-2-[5-fluoro-6-(5-propan-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]-4-(methylaminomethyl)-3H-pyrrolo[3,4-c]pyridin-1-one is CNCc1nc(N(C)C)cc2c1CN(c1ccc(F)c(-c3cn[nH]c3C(C)C)n1)C2=O.
What is the InChIKey of 6-(dimethylamino)-2-[5-fluoro-6-(5-propan-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]-4-(methylaminomethyl)-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is QMZBPBDDMSTECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN7O/c1-12(2)20-14(9-25-28-20)21-16(23)6-7-18(27-21)30-11-15-13(22(30)31)8-19(29(4)5)26-17(15)10-24-3/h6-9,12,24H,10-11H2,1-5H3,(H,25,28).
What are the key properties of 6-(dimethylamino)-2-[5-fluoro-6-(5-propan-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]-4-(methylaminomethyl)-3H-pyrrolo[3,4-c]pyridin-1-one?
6-(dimethylamino)-2-[5-fluoro-6-(5-propan-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]-4-(methylaminomethyl)-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 423.50 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-2-[5-fluoro-6-(5-propan-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]-4-(methylaminomethyl)-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 146593069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).