2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one

C20H18F3N5O4 — CID 66743349

IUPAC2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCOc1cc(-c2ccc3c(n2)C(OC)N(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC
InChIInChI=1S/C20H18F3N5O4/c1-30-15-6-11(7-24-17(15)31-2)14-5-4-13-16(26-14)19(32-3)28(18(13)29)12-8-25-27(9-12)10-20(21,22)23/h4-9,19H,10H2,1-3H3
InChIKeyPFPDTAZAFHFHHA-UHFFFAOYSA-N
MW449.39 g/mol
LogP3.22
Rot. Bonds6

About 2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one

2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 66743349) has the molecular formula C20H18F3N5O4 and a molecular weight of 449.39 g/mol. Its IUPAC name is 2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID66743349
Molecular FormulaC20H18F3N5O4
Molecular Weight449.39 g/mol
Exact Mass449.13
IUPAC Name2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCOc1cc(-c2ccc3c(n2)C(OC)N(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC
InChIInChI=1S/C20H18F3N5O4/c1-30-15-6-11(7-24-17(15)31-2)14-5-4-13-16(26-14)19(32-3)28(18(13)29)12-8-25-27(9-12)10-20(21,22)23/h4-9,19H,10H2,1-3H3
InChIKeyPFPDTAZAFHFHHA-UHFFFAOYSA-N
XLogP3.22
TPSA91.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.39
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one (CID 66743349) is 2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one is COc1cc(-c2ccc3c(n2)C(OC)N(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC.
What is the InChIKey of 2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is PFPDTAZAFHFHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O4/c1-30-15-6-11(7-24-17(15)31-2)14-5-4-13-16(26-14)19(32-3)28(18(13)29)12-8-25-27(9-12)10-20(21,22)23/h4-9,19H,10H2,1-3H3.
What are the key properties of 2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one?
2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 449.39 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 66743349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).