1-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3,3-dimethylindol-2-one

C26H28N4O3 — CID 158199287

IUPAC1-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3,3-dimethylindol-2-one
SMILESC[C@@H](Oc1cc(N2C(=O)C(C)(C)c3ccccc32)cn2ncc(C3CC3)c12)[C@H]1CNC(=O)C1
InChIInChI=1S/C26H28N4O3/c1-15(17-10-23(31)27-12-17)33-22-11-18(14-29-24(22)19(13-28-29)16-8-9-16)30-21-7-5-4-6-20(21)26(2,3)25(30)32/h4-7,11,13-17H,8-10,12H2,1-3H3,(H,27,31)/t15-,17-/m1/s1
InChIKeyMBDYSPRNLSIAAN-NVXWUHKLSA-N
MW444.54 g/mol
LogP4.07
Rot. Bonds5

About 1-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3,3-dimethylindol-2-one

1-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3,3-dimethylindol-2-one (PubChem CID 158199287) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is 1-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3,3-dimethylindol-2-one.

Molecular Properties

Compound Name1-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3,3-dimethylindol-2-one
PubChem CID158199287
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC Name1-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3,3-dimethylindol-2-one
SMILESC[C@@H](Oc1cc(N2C(=O)C(C)(C)c3ccccc32)cn2ncc(C3CC3)c12)[C@H]1CNC(=O)C1
InChIInChI=1S/C26H28N4O3/c1-15(17-10-23(31)27-12-17)33-22-11-18(14-29-24(22)19(13-28-29)16-8-9-16)30-21-7-5-4-6-20(21)26(2,3)25(30)32/h4-7,11,13-17H,8-10,12H2,1-3H3,(H,27,31)/t15-,17-/m1/s1
InChIKeyMBDYSPRNLSIAAN-NVXWUHKLSA-N
XLogP4.07
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3,3-dimethylindol-2-one?
The IUPAC name of 1-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3,3-dimethylindol-2-one (CID 158199287) is 1-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3,3-dimethylindol-2-one.
What is the SMILES notation for 1-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3,3-dimethylindol-2-one?
The canonical SMILES for 1-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3,3-dimethylindol-2-one is C[C@@H](Oc1cc(N2C(=O)C(C)(C)c3ccccc32)cn2ncc(C3CC3)c12)[C@H]1CNC(=O)C1.
What is the InChIKey of 1-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3,3-dimethylindol-2-one?
The InChIKey is MBDYSPRNLSIAAN-NVXWUHKLSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-15(17-10-23(31)27-12-17)33-22-11-18(14-29-24(22)19(13-28-29)16-8-9-16)30-21-7-5-4-6-20(21)26(2,3)25(30)32/h4-7,11,13-17H,8-10,12H2,1-3H3,(H,27,31)/t15-,17-/m1/s1.
What are the key properties of 1-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3,3-dimethylindol-2-one?
1-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3,3-dimethylindol-2-one has a molecular weight of 444.54 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3,3-dimethylindol-2-one is sourced from PubChem (CID 158199287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).