5-[5-hydroxy-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-5H-pyrrolo[3,4-b]pyridin-2-yl]-N-propylpyridine-3-carboxamide

C24H27F3N6O2 — CID 134423792

IUPAC5-[5-hydroxy-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-5H-pyrrolo[3,4-b]pyridin-2-yl]-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1cncc(-c2cc(C)c3c(n2)C(C)(C)N(c2cnn(CC(F)(F)F)c2)C3O)c1
InChIInChI=1S/C24H27F3N6O2/c1-5-6-29-21(34)16-8-15(9-28-10-16)18-7-14(2)19-20(31-18)23(3,4)33(22(19)35)17-11-30-32(12-17)13-24(25,26)27/h7-12,22,35H,5-6,13H2,1-4H3,(H,29,34)
InChIKeyPAMBSQAQTYSJSG-UHFFFAOYSA-N
MW488.51 g/mol
LogP4.10
Rot. Bonds6

About 5-[5-hydroxy-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-5H-pyrrolo[3,4-b]pyridin-2-yl]-N-propylpyridine-3-carboxamide

5-[5-hydroxy-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-5H-pyrrolo[3,4-b]pyridin-2-yl]-N-propylpyridine-3-carboxamide (PubChem CID 134423792) has the molecular formula C24H27F3N6O2 and a molecular weight of 488.51 g/mol. Its IUPAC name is 5-[5-hydroxy-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-5H-pyrrolo[3,4-b]pyridin-2-yl]-N-propylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[5-hydroxy-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-5H-pyrrolo[3,4-b]pyridin-2-yl]-N-propylpyridine-3-carboxamide
PubChem CID134423792
Molecular FormulaC24H27F3N6O2
Molecular Weight488.51 g/mol
Exact Mass488.21
IUPAC Name5-[5-hydroxy-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-5H-pyrrolo[3,4-b]pyridin-2-yl]-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1cncc(-c2cc(C)c3c(n2)C(C)(C)N(c2cnn(CC(F)(F)F)c2)C3O)c1
InChIInChI=1S/C24H27F3N6O2/c1-5-6-29-21(34)16-8-15(9-28-10-16)18-7-14(2)19-20(31-18)23(3,4)33(22(19)35)17-11-30-32(12-17)13-24(25,26)27/h7-12,22,35H,5-6,13H2,1-4H3,(H,29,34)
InChIKeyPAMBSQAQTYSJSG-UHFFFAOYSA-N
XLogP4.10
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.51
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[5-hydroxy-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-5H-pyrrolo[3,4-b]pyridin-2-yl]-N-propylpyridine-3-carboxamide?
The IUPAC name of 5-[5-hydroxy-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-5H-pyrrolo[3,4-b]pyridin-2-yl]-N-propylpyridine-3-carboxamide (CID 134423792) is 5-[5-hydroxy-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-5H-pyrrolo[3,4-b]pyridin-2-yl]-N-propylpyridine-3-carboxamide.
What is the SMILES notation for 5-[5-hydroxy-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-5H-pyrrolo[3,4-b]pyridin-2-yl]-N-propylpyridine-3-carboxamide?
The canonical SMILES for 5-[5-hydroxy-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-5H-pyrrolo[3,4-b]pyridin-2-yl]-N-propylpyridine-3-carboxamide is CCCNC(=O)c1cncc(-c2cc(C)c3c(n2)C(C)(C)N(c2cnn(CC(F)(F)F)c2)C3O)c1.
What is the InChIKey of 5-[5-hydroxy-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-5H-pyrrolo[3,4-b]pyridin-2-yl]-N-propylpyridine-3-carboxamide?
The InChIKey is PAMBSQAQTYSJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N6O2/c1-5-6-29-21(34)16-8-15(9-28-10-16)18-7-14(2)19-20(31-18)23(3,4)33(22(19)35)17-11-30-32(12-17)13-24(25,26)27/h7-12,22,35H,5-6,13H2,1-4H3,(H,29,34).
What are the key properties of 5-[5-hydroxy-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-5H-pyrrolo[3,4-b]pyridin-2-yl]-N-propylpyridine-3-carboxamide?
5-[5-hydroxy-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-5H-pyrrolo[3,4-b]pyridin-2-yl]-N-propylpyridine-3-carboxamide has a molecular weight of 488.51 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-hydroxy-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-5H-pyrrolo[3,4-b]pyridin-2-yl]-N-propylpyridine-3-carboxamide is sourced from PubChem (CID 134423792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).