2-methoxy-N-(oxolan-3-yl)-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide

C26H27F3N6O4 — CID 77400228

IUPAC2-methoxy-N-(oxolan-3-yl)-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide
SMILESCOc1ncc(-c2cc(C)c3c(n2)C(C)(C)N(c2cnn(CC(F)(F)F)c2)C3=O)cc1C(=O)NC1CCOC1
InChIInChI=1S/C26H27F3N6O4/c1-14-7-19(15-8-18(23(38-4)30-9-15)22(36)32-16-5-6-39-12-16)33-21-20(14)24(37)35(25(21,2)3)17-10-31-34(11-17)13-26(27,28)29/h7-11,16H,5-6,12-13H2,1-4H3,(H,32,36)
InChIKeyAOYHXWFHJJUSEI-UHFFFAOYSA-N
MW544.53 g/mol
LogP3.63
Rot. Bonds6

About 2-methoxy-N-(oxolan-3-yl)-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide

2-methoxy-N-(oxolan-3-yl)-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide (PubChem CID 77400228) has the molecular formula C26H27F3N6O4 and a molecular weight of 544.53 g/mol. Its IUPAC name is 2-methoxy-N-(oxolan-3-yl)-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methoxy-N-(oxolan-3-yl)-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide
PubChem CID77400228
Molecular FormulaC26H27F3N6O4
Molecular Weight544.53 g/mol
Exact Mass544.20
IUPAC Name2-methoxy-N-(oxolan-3-yl)-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide
SMILESCOc1ncc(-c2cc(C)c3c(n2)C(C)(C)N(c2cnn(CC(F)(F)F)c2)C3=O)cc1C(=O)NC1CCOC1
InChIInChI=1S/C26H27F3N6O4/c1-14-7-19(15-8-18(23(38-4)30-9-15)22(36)32-16-5-6-39-12-16)33-21-20(14)24(37)35(25(21,2)3)17-10-31-34(11-17)13-26(27,28)29/h7-11,16H,5-6,12-13H2,1-4H3,(H,32,36)
InChIKeyAOYHXWFHJJUSEI-UHFFFAOYSA-N
XLogP3.63
TPSA111.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.53
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-methoxy-N-(oxolan-3-yl)-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(oxolan-3-yl)-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide?
The IUPAC name of 2-methoxy-N-(oxolan-3-yl)-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide (CID 77400228) is 2-methoxy-N-(oxolan-3-yl)-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-methoxy-N-(oxolan-3-yl)-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-methoxy-N-(oxolan-3-yl)-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide is COc1ncc(-c2cc(C)c3c(n2)C(C)(C)N(c2cnn(CC(F)(F)F)c2)C3=O)cc1C(=O)NC1CCOC1.
What is the InChIKey of 2-methoxy-N-(oxolan-3-yl)-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide?
The InChIKey is AOYHXWFHJJUSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N6O4/c1-14-7-19(15-8-18(23(38-4)30-9-15)22(36)32-16-5-6-39-12-16)33-21-20(14)24(37)35(25(21,2)3)17-10-31-34(11-17)13-26(27,28)29/h7-11,16H,5-6,12-13H2,1-4H3,(H,32,36).
What are the key properties of 2-methoxy-N-(oxolan-3-yl)-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide?
2-methoxy-N-(oxolan-3-yl)-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide has a molecular weight of 544.53 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(oxolan-3-yl)-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 77400228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).